SCHEMBL8429477

SCHEMBL8429477

CCc1ccc(N2CCCCC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
AOC3 Q16853 2/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 9/20 0.47
UBE2T Q9NPD8 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CNR1 P21554 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 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
SCHEMBL9908392 0.98 HRH3 (0.53) CYP1A2CYP2D6HRH3AOC3MAPT
SCHEMBL12217555 0.95 HRH3 (0.49) CYP1A2CYP2D6HRH3AOC3MAPT
SCHEMBL12942919 0.85 L3MBTL3 (0.46) CYP1A2CYP2D6HRH3AOC3
SCHEMBL14642619 0.84 CYP11B1 (0.55) CYP1A2AOC3MAPTALDH1A1LMNA
SCHEMBL12601594 0.84 AOC3 (0.55) CYP1A2CYP2D6HRH3AOC3MAPT
SCHEMBL2759552 0.84 HRH4 (0.49) CYP1A2CYP2D6HRH3ALDH1A1KDM4E
SCHEMBL12127778 0.83 L3MBTL3 (0.47) CYP1A2CYP2D6HRH3
SCHEMBL149381 0.83 CYP11B1 (0.60) CYP1A2AOC3MAPTALDH1A1LMNA
SCHEMBL10201937 0.83 PLD1 (0.49) CYP1A2HRH3ALDH1A1KDM4E
SCHEMBL12651161 0.83 POLB (0.49) CYP1A2CYP2D6HRH3AOC3MAPT

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-10961272-B2 Process for preparation of sulfonyl carbamate bile acid derivatives ENANTA PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-20200317717-A1 PROCESS FOR PREPARATION OF SULFONYL CARBAMATE BILE ACID DERIVATIVES ENANTA PHARM INC (US) 2020-10-08 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-15 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP 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 (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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CYP1A2 980/4885CYP2D6 817/4885HRH3 4/4885
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH CYP1A2 36/4885CYP2D6 4/4885HRH3 1819/4885
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA CYP1A2 3333/4885CYP2D6 2916/4885HRH3 856/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885CYP2D6 3373/4885HRH3 2523/4885
US-10961272-B2 Process for preparation of sulfonyl carbamate bile acid derivatives GPBAR1, NR1H4, SLC10A1 CYP1A2 850/4885CYP2D6 404/4885HRH3 2750/4885
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B CYP1A2 955/4885CYP2D6 934/4885HRH3 229/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CYP1A2 2767/4885CYP2D6 2915/4885HRH3 358/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 CYP1A2 3396/4885CYP2D6 4488/4885HRH3 1065/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP1A2 1412/4885CYP2D6 1754/4885HRH3 303/4885
US-20200317717-A1 PROCESS FOR PREPARATION OF SULFONYL CARBAMATE BILE ACID DERIVATIVES GPBAR1, NR1H4, SLC10A1 CYP1A2 850/4885CYP2D6 404/4885HRH3 2750/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CYP1A2 1356/4885CYP2D6 1455/4885HRH3 411/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885CYP2D6 3373/4885HRH3 2523/4885

“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.