SCHEMBL2356975

SCHEMBL2356975

O=C(NCC1CC1N1CCCC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSK P43235 2/20 0.49
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
HTT P42858 2/20 0.45
ADRB1 P08588 1/20 0.45
DPP4 P27487 1/20 0.45
PREP P48147 1/20 0.45
FAP Q12884 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8477911 0.81 CTSL (0.41) CTSLCTSBCTSKHPGDHCRTR1
SCHEMBL8477603 0.80 CTSL (0.41) CTSLCTSBCTSKHPGDGAA
SCHEMBL5495261 0.75 CTSL (0.54) CTSLCTSBCTSKHPGDGAA
SCHEMBL7957809 0.74 OPRM1 (0.50) MAPT
SCHEMBL7957812 0.74 OPRM1 (0.50) MAPT
SCHEMBL7266048 0.71 CTSL (0.52) CTSLCTSBCTSKHPGDGAA
SCHEMBL17002716 0.71 MAOA (0.65) HPGDSMN1; SMN2ALDH1A1
SCHEMBL17002714 0.71 MAOA (0.65) HPGDSMN1; SMN2ALDH1A1
SCHEMBL1514837 0.71 MCOLN2 (0.61) HTT
SCHEMBL17003414 0.70 MAOA (0.64) HTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 US claimed
EP-2356109-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2011-08-17 EP claimed
WO-2010042925-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2010-04-15 WO claimed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 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 (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-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES PRKCH, PRKCG, PRKCQ CTSL 4681/4885CTSB 3823/4885CTSK 2801/4885

“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.