SCHEMBL627738

SCHEMBL627738

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
AGTR1 P30556 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TP53 P04637 1/20 0.37
FPR2 P25090 1/20 0.37
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL624108 0.89 PTGS2 (0.40) NPC1RAB9APTGS2MEN1KMT2A
SCHEMBL625217 0.88 TLR7 (0.43) NPC1RAB9AAGTR1PTGS1PTGS2
SCHEMBL626472 0.87 TLR7 (0.46) MEN1KMT2AALDH1A1HTTCES1
SCHEMBL625107 0.87 NPC1 (0.39) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL624819 0.82 GRM4 (0.41) NPC1RAB9AAGTR1KMT2AALDH1A1
SCHEMBL624617 0.79 TLR7 (0.46) RAB9AMEN1KMT2AALDH1A1CES2
SCHEMBL624423 0.79 L3MBTL1 (0.41) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL624992 0.78 GRM4 (0.41) NPC1RAB9AAGTR1MEN1KMT2A
SCHEMBL625186 0.75 P2RX7 (0.46) NPC1RAB9AAGTR1PTGS1PTGS2

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 NPC1 1833/4885RAB9A 1762/4885AGTR1 530/4885

“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.