SCHEMBL104632

SCHEMBL104632

CC(C)N1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.63
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.52
CYP2D6 P10635 2/20 0.51
KCNH2 Q12809 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL14453913 0.94 HRH3 (0.66) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL2926694 0.93 HRH3 (0.56) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL2924520 0.93 HRH3 (0.56) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL2924516 0.93 HRH3 (0.56) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL20315424 0.92 ALDH1A1 (0.67) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL19004863 0.92 ALDH1A1 (0.61) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL2403284 0.91 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL2403244 0.91 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL2911334 0.91 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL2403246 0.91 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230105212-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-04-06 US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
WO-2022144002-A1 DERIVATIVE OF 2,5-DIKETOPIPERAZINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 大连万众益生大健康有限公司 2022-07-07 WO disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
WO-2017207534-A1 SUBSTITUTED HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed

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

For each of this compound's patents that has machine-readable text (10 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 HRH3 634/4885ALDH1A1 3128/4885TSHR 94/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK HRH3 3738/4885ALDH1A1 4095/4885TSHR 3739/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 HRH3 4201/4885ALDH1A1 3827/4885TSHR 3284/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 HRH3 2777/4885ALDH1A1 295/4885TSHR 2117/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885ALDH1A1 2706/4885TSHR 1622/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI HRH3 4118/4885ALDH1A1 263/4885TSHR 3810/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH HRH3 321/4885ALDH1A1 892/4885TSHR 2464/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885ALDH1A1 2706/4885TSHR 1622/4885
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 HRH3 4130/4885ALDH1A1 4553/4885TSHR 2302/4885
US-20230105212-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, TMBIM6, CYP46A1 HRH3 4061/4885ALDH1A1 502/4885TSHR 3522/4885

“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.