SCHEMBL6202014

SCHEMBL6202014

CCCCC(C=O)(CCCC)CSc1ccc(N(C)C)cc1Cc1ccc(OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 4/20 0.33
APP P05067 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
CALM1 P0DP23 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LRP6 O75581 1/20 0.30
MAPT P10636 1/20 0.30
CNR2 P34972 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6200975 0.80 CNR2 (0.33) SLC10A2APPMAOBMAOACALM1
SCHEMBL16385373 0.79 MAOB (0.33) SLC10A2APPMAOBMAOACALM1
SCHEMBL6200639 0.74 RET (0.33) KMT2AMAPT
SCHEMBL7846237 0.74 APP (0.34) APPMAOBMAOACALM1MEN1
SCHEMBL7837755 0.74 CNR2 (0.35) SLC10A2APPMAOBMAOACALM1
SCHEMBL7846110 0.68 CNR2 (0.37) SLC10A2APPCALM1MEN1KMT2A
SCHEMBL6201251 0.68 LMNA (0.35) MAPTCNR2ALDH1A1
SCHEMBL7837233 0.67 MEN1 (0.35) SLC10A2APPMAOBMAOACALM1
SCHEMBL6200633 0.66 MMP2 (0.38) MAOBMEN1KMT2AMAPTCNR2
SCHEMBL347277 0.66 DDR1 (0.32)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425279-A4 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2005-10-26 EP disclosed
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines PHARMACIA CORPORATION (US) 2005-04-28 US disclosed
US-6794544-B2 APICAL SODIUM CO- DEPENDENT BILE ACID TRANSPORTER (ASBT) INHIBITORS PHARMACIA CORPORATION 2004-09-21 US disclosed
EP-1425279-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. Searle LLC (US) 2004-06-09 EP disclosed
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2004-04-29 US disclosed
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines BABIAK KEVIN A (US) 2003-12-25 US disclosed
WO-2003022804-A9 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2003-12-18 WO disclosed
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines G.D. SEARLE, LLC (US) 2003-10-23 US disclosed
US-6586434-B2 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2003-07-01 US disclosed
WO-2003022804-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. SEARLE LLC (US) 2003-03-20 WO disclosed
EP-1286984-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES Pharmacia Corporation (US) 2003-03-05 EP disclosed
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE LLC 2002-03-14 US disclosed
WO-2001068637-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES PHARMACIA CORPORATION (US) 2001-09-20 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 (5 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-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines TPMT, MPST, SULT1A1 SLC10A2 373/4885APP 1108/4885MAOB 1081/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4044/4885APP 1615/4885MAOB 516/4885
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4044/4885APP 1615/4885MAOB 516/4885
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4031/4885APP 1620/4885MAOB 516/4885
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4044/4885APP 1615/4885MAOB 516/4885

“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.