SCHEMBL553965

SCHEMBL553965

CCN1CCN(C=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3830589 0.97 HSD17B10 (0.45) HSD17B10CHRNA7KMT2AHSD11B1SMN1; SMN2
SCHEMBL9532947 0.85
Fluorobenzene SCHEMBL27599288 0.81 CHRNA7 (0.49) CHRNA7KMT2AHSD11B1ALDH1A1
SCHEMBL3947375 0.80 DRD2 (0.44) HSD17B10NPC1POLBRAB9AGAA
SCHEMBL21056391 0.80 KMT2A (0.43) HSD17B10KMT2AHSD11B1SMN1; SMN2
SCHEMBL27292118 0.80 CHRM5 (0.36) HSD17B10HSD11B1SMN1; SMN2ALDH1A1
SCHEMBL4915224 0.77 GNAI3 (0.44) HSD17B10
SCHEMBL84808 0.76 CHRNA7 (0.48) CHRNA7KMT2AHSD11B1SMN1; SMN2GAA
SCHEMBL262312 0.76
SCHEMBL6657817 0.76 CHRNA7 (0.48) CHRNA7KMT2AHSD11B1SMN1; SMN2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 337 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 CN claimed
EP-3421457-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2021-10-06 EP claimed
CN-111606908-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-08-24 CN claimed
US-10912774-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-02-09 US claimed
CN-111954532-A Anti-tumor multi-drug resistance of heteroaryl amide compounds, application of heteroaryl amide compounds in treating cancer and protein-drug molecular compound 上海交通大学医学院附属瑞金医院 2020-11-17 CN claimed
CN-111511730-A Amide substituted indole compounds useful as T L R inhibitors 百时美施贵宝公司 2020-08-07 CN claimed
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2020-07-02 US claimed
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-02 US claimed
CN-111295387-A Heteroaryl amide compound, preparation method thereof, medicinal composition and application thereof 上海交通大学医学院附属瑞金医院 2020-06-16 CN claimed
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2019-07-11 US claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-26 US claimed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US claimed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US claimed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US claimed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US claimed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP claimed
US-5290807-A Antiinflammatory agents CHILDREN'S MEDICAL CENTER CORPORATION (US) 1994-03-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 HSD17B10 413/4885CHRNA7 2823/4885KMT2A 3970/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HSD17B10 1011/4885CHRNA7 2754/4885KMT2A 3433/4885
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA HSD17B10 2131/4885CHRNA7 1743/4885KMT2A 4610/4885
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 HSD17B10 2077/4885CHRNA7 3733/4885KMT2A 4045/4885
US-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 HSD17B10 1643/4885CHRNA7 4818/4885KMT2A 2015/4885
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HSD17B10 573/4885CHRNA7 2817/4885KMT2A 3766/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HSD17B10 1011/4885CHRNA7 2754/4885KMT2A 3433/4885
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 HSD17B10 4186/4885CHRNA7 4870/4885KMT2A 883/4885
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 HSD17B10 1643/4885CHRNA7 4818/4885KMT2A 2015/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 HSD17B10 897/4885CHRNA7 4237/4885KMT2A 3251/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HSD17B10 1093/4885CHRNA7 2898/4885KMT2A 2813/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 HSD17B10 4186/4885CHRNA7 4870/4885KMT2A 883/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.