SCHEMBL625217

SCHEMBL625217

CC(c1ccc(Cl)cc1)C1(C(=O)c2ccccn2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.43
XIAP P98170 1/20 0.43
BIRC2 Q13490 1/20 0.43
FFAR2 O15552 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
AGTR1 P30556 1/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
UBE2N P61088 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL624860 0.90 LMNA (0.44) NPC1RAB9APOLBGAAALDH1A1
SCHEMBL624108 0.89 PTGS2 (0.40) TLR7NPC1RAB9APOLBPKM
SCHEMBL627738 0.88 NPC1 (0.41) TLR7NPC1RAB9APOLBPKM
SCHEMBL626472 0.84 TLR7 (0.46) TLR7ALDH1A1L3MBTL1HTT
SCHEMBL624992 0.82 GRM4 (0.41) XIAPBIRC2NPC1RAB9APOLB
SCHEMBL625107 0.80 NPC1 (0.39) TLR7NPC1RAB9AALDH1A1KDM4E
SCHEMBL624423 0.79 L3MBTL1 (0.41) NPC1RAB9APKMALDH1A1KDM4E
SCHEMBL624819 0.78 GRM4 (0.41) NPC1RAB9APKMALDH1A1KDM4E
SCHEMBL624617 0.77 TLR7 (0.46) TLR7RAB9AALDH1A1OPRK1L3MBTL1
SCHEMBL8028296 0.72 HSD11B1 (0.51) TLR7NPC1RAB9APKMGAA

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 TLR7 1619/4885XIAP 2942/4885BIRC2 4074/4885

“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.