SCHEMBL2501600

SCHEMBL2501600

CCC(C)COc1ccc([C@@H](N)CN2CCN(C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
GPR88 Q9GZN0 4/20 0.49
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.42
FFAR1 O14842 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL2501596 1.00 KDM4E (0.53) KDM4EGLAGPR88TSHRL3MBTL1
SCHEMBL1585109 0.90 GPR88 (0.58) KDM4EGLAGPR88TSHRL3MBTL1
SCHEMBL2526100 0.90 GPR88 (0.58) KDM4EGLAGPR88TSHRL3MBTL1
SCHEMBL1553939 0.78 KDM4E (0.45) KDM4EGLAGPR88KMT2AFFAR1
SCHEMBL2498163 0.77 FFAR1 (0.48) KDM4EGLAGPR88L3MBTL1KMT2A
SCHEMBL2498164 0.77 FFAR1 (0.48) KDM4EGLAGPR88L3MBTL1KMT2A
SCHEMBL15121855 0.76 FFAR1 (0.51) GPR88TSHRFFAR1ALDH1A1
SCHEMBL14922322 0.75 ITGB3 (0.52) KDM4EGLATSHRL3MBTL1KMT2A
SCHEMBL27871564 0.75 FFAR1 (0.41) KDM4EGLAGPR88TSHRL3MBTL1
SCHEMBL27871559 0.75 FFAR1 (0.46) KDM4EGLAGPR88KMT2AFFAR1

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-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
US-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-06 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-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 KDM4E 3626/4885GLA 4082/4885GPR88 1/4885

“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.