SCHEMBL624992

SCHEMBL624992

CC(c1ccccc1Cl)C1(C(=O)c2ccccn2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
FPR2 P25090 1/20 0.39
GRM5 P41594 1/20 0.39
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
CTSA P10619 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
TGM2 P21980 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL624423 0.86 L3MBTL1 (0.41) ALDH1A1KDM4EHTTFPR2GRM5
SCHEMBL624819 0.85 GRM4 (0.41) GRM4ALDH1A1KDM4EHTTFPR2
SCHEMBL625217 0.82 TLR7 (0.43) ALDH1A1KDM4EHTTFPR2GRM5
SCHEMBL624860 0.82 LMNA (0.44) GRM4ALDH1A1KDM4EHTTFPR2
SCHEMBL624108 0.79 PTGS2 (0.40) ALDH1A1KDM4EHTTFPR2GRM5
SCHEMBL627738 0.78 NPC1 (0.41) ALDH1A1KDM4EHTTFPR2GRM5
SCHEMBL625107 0.77 NPC1 (0.39) GRM4ALDH1A1KDM4EHTTFPR2
SCHEMBL626472 0.75 TLR7 (0.46) GRM4ALDH1A1HTTMEN1KMT2A
SCHEMBL624617 0.72 TLR7 (0.46) ALDH1A1MEN1OPRK1KMT2ACES2
SCHEMBL624598 0.72 TRPV3 (0.52) ALDH1A1KDM4EHTTCYP2C19OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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 (1 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 GRM4 242/4885ALDH1A1 2560/4885KDM4E 3537/4885

“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.