SCHEMBL4821598

SCHEMBL4821598

COc1ccc(NC(=O)C2C3CCC(C3)C2C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.48
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL21652020 0.75 NPC1 (0.56) NPC1RAB9ATRPM8ALDH1A1KMT2A
SCHEMBL29397428 0.74 TRPM8 (0.68) NPC1RAB9ATRPM8ALDH1A1KMT2A
SCHEMBL8324607 0.73 MTNR1A (0.71) NPC1RAB9AALDH1A1HTTSMN1; SMN2
Acoltremon SCHEMBL16227989 0.71 TRPM8 (1.00) NPC1RAB9ATRPM8ALDH1A1KMT2A
Acoltremon SCHEMBL17104729 0.71 TRPM8 (1.00) NPC1RAB9ATRPM8ALDH1A1KMT2A
Acoltremon SCHEMBL23870506 0.71 TRPM8 (1.00) NPC1RAB9ATRPM8ALDH1A1KMT2A
Acoltremon SCHEMBL3228667 0.71 TRPM8 (1.00) NPC1RAB9ATRPM8ALDH1A1KMT2A
Acoltremon SCHEMBL619824 0.71 TRPM8 (1.00) NPC1RAB9ATRPM8ALDH1A1KMT2A
Acoltremon SCHEMBL23198293 0.71 TRPM8 (1.00) NPC1RAB9ATRPM8ALDH1A1KMT2A
Acoltremon SCHEMBL14811473 0.71 TRPM8 (1.00) NPC1RAB9ATRPM8ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417048-B2 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets WEI EDWARD T 2008-08-26 US disclosed
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods WEI EDWARD T (US) 2005-08-25 US disclosed
US-20050159394-A1 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets WEI EDWARD T (US) 2005-07-21 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 (2 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-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods OPRL1, TRPV1, TRPA1 NPC1 1906/4885RAB9A 2610/4885TRPM8 13/4885
US-20050159394-A1 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets OPRL1, OPRK1, OPRD1 NPC1 4105/4885RAB9A 4208/4885TRPM8 588/4885

“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.