SCHEMBL3438657

SCHEMBL3438657

CC(=O)N1CCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 2/20 0.48
EPHX1 P07099 1/20 0.48
HPGD P15428 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
PIK3CD O00329 1/20 0.44
CA2 P00918 1/20 0.44
CHKA P35790 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14506909 1.00 TDP1 (0.57) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19046575 1.00 TDP1 (0.57) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL60330 1.00 TDP1 (0.57) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14034527 1.00 TDP1 (0.57) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27023033 1.00 TDP1 (0.57) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18228339 1.00 TDP1 (0.57) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8053 1.00
SCHEMBL896298 1.00
SCHEMBL17901788 1.00 TDP1 (0.57) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8522398 0.97 TDP1 (0.55) TDP1CYP1A2ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
US-20230338392-A1 SUBCUTANEOUS ADMINISTRATION OF AN ASBT INHIBITOR ALBIREO AB (SE) 2023-10-26 US disclosed
US-20230330176-A1 PHARMACEUTICAL COMBINATION COMPRISING AN IBAT INHIBITOR AND A BILE ACID BINDER ALBIREO AB (SE) 2023-10-19 US disclosed
EP-3444238-B1 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS SATO PHARMA (JP) 2021-12-08 EP disclosed
EP-3697410-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES Amgen Inc. (US) 2020-08-26 EP disclosed
WO-2019079578-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2019-04-25 WO disclosed
EP-3444238-A2 PROCESS FOR PREPARING DIFLUOROMETHYLENE COMPOUNDS Sato Pharmaceutical Co., Ltd. (JP) 2019-02-20 EP disclosed
US-10000528-B2 IBAT inhibitors for the treatment of liver diseases ALBIREO AB (SE) 2018-06-19 US disclosed
WO-2018071622-A1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-19 WO disclosed
US-20180022776-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2018-01-25 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20060035155-A1 Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery SANYO ELECTRIC CO., LTD. (JP) 2006-02-16 US disclosed
EP-0654023-B1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-16 EP disclosed
US-5523299-A ADMINISTERING IN TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 1996-06-04 US disclosed
EP-0654023-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-05-24 EP disclosed
WO-1994003426-A1 5-(2-OXYPHENYL)-PYRROLE DERIVATIVES AS DOPAMINE D3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO 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 (7 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-20180022776-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES GPR119, SLC10A1, SLC10A2 TDP1 3715/4885CYP1A2 995/4885ALDH1A1 660/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 TDP1 4530/4885CYP1A2 4222/4885ALDH1A1 1649/4885
US-20230338392-A1 SUBCUTANEOUS ADMINISTRATION OF AN ASBT INHIBITOR SLC10A1, SLC10A2, SLC10A6 TDP1 4813/4885CYP1A2 961/4885ALDH1A1 1795/4885
US-10000528-B2 IBAT inhibitors for the treatment of liver diseases GPR119, SLC10A1, SLC10A2 TDP1 3715/4885CYP1A2 995/4885ALDH1A1 660/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 TDP1 4538/4885CYP1A2 844/4885ALDH1A1 1934/4885
US-20070105901-A1 Novel piperidine derivative HRH3, OPRM1, OPRK1 TDP1 3171/4885CYP1A2 1395/4885ALDH1A1 721/4885
US-20230330176-A1 PHARMACEUTICAL COMBINATION COMPRISING AN IBAT INHIBITOR AND A BILE ACID BINDER SLC10A2, SLC10A1, GPBAR1 TDP1 4248/4885CYP1A2 1807/4885ALDH1A1 1721/4885

“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.