SCHEMBL4008802

SCHEMBL4008802

CN(C)c1cc[c]c(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
ADK P55263 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL4009384 0.77 MAP2K4 (0.46) LMNAALDH1A1CYP3A4CLK4RAB9A
SCHEMBL5743296 0.77 CYP3A4 (0.55) LMNAALDH1A1CYP3A4RAB9ANPC1
SCHEMBL5887276 0.77 MAPT (0.48) HSD17B10LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4807576 0.77 ALDH1A1 (0.43) HSD17B10LMNAALDH1A1USP2RAB9A
SCHEMBL8064164 0.76 ALDH1A1 (0.44) HSD17B10LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL1254036 0.75 NPC1 (0.51) HSD17B10ALDH1A1CYP3A4RAB9ANPC1
SCHEMBL5887412 0.74 PTGS2 (0.56) CA12CA2CA9
SCHEMBL2125610 0.73 MAP2K4 (0.49) LMNAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11369493 0.73 GAPDH (0.51) LMNAALDH1A1CYP3A4MAPK1ALOX15
SCHEMBL5886845 0.73 ALDH1A1 (0.43) HSD17B10ALDH1A1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed
US-5106713-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1992-04-21 US claimed
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 US disclosed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO disclosed
US-5230975-A Photoconductive imaging members with unsymmetrical alkylalkoxy squaraine compositions XEROX CORPORATION (US) 1993-07-27 US disclosed
US-5106713-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1992-04-21 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 (4 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R HSD17B10 1195/4885LMNA 4188/4885ALDH1A1 1572/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR HSD17B10 2662/4885LMNA 4772/4885ALDH1A1 2402/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 HSD17B10 320/4885LMNA 2668/4885ALDH1A1 597/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R HSD17B10 1386/4885LMNA 4412/4885ALDH1A1 1501/4885

“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.