SCHEMBL257696

SCHEMBL257696

Cc1nn2c(-c3cc(F)cc(F)c3)cc(N3CCC[C@H]3CO)nc2c1-c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.36
▸ NOS2 P35228 3/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ BCL6 P41182 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL15020822 0.94 FPR2 (0.41) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL15020607 0.93 ITGB2 (0.39) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL15020929 0.90 ALDH1A1 (0.45) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL257516 0.90 ALDH1A1 (0.45) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL15020578 0.87 LMNA (0.40) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL15020592 0.86 ALDH1A1 (0.43) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL15020703 0.84 MAPT (0.46) ITGB2ICAM1ITGALFPR2SCN9A
SCHEMBL15020602 0.84 FPR2 (0.38) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL15020605 0.84 FPR2 (0.38) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL15021385 0.83 FPR2 (0.40) ITGB2ICAM1ITGALALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975264-B2 Compound acting as a cannabinoid receptor-1 inhibitor AMOREPACIFIC CORPORATION (KR) 2015-03-10 — — US disclosed
US-8975264-B2 Compound acting as a cannabinoid receptor-1 inhibitor AMOREPACIFIC CORPORATION (KR) 2015-03-10 — — US disclosed
US-8975264-B2 Compound acting as a cannabinoid receptor-1 inhibitor AMOREPACIFIC CORPORATION (KR) 2015-03-10 — — US disclosed
EP-2617723-A2 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR Amorepacific Corporation (KR) 2013-07-24 — — EP disclosed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 — — US disclosed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 — — US disclosed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 — — US disclosed
WO-2012030170-A2 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR (주)아모레퍼시픽 (KR) 2012-03-08 — — 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-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR CNR1, CNR2, GPR18 ITGB2 4807/4885ICAM1 3405/4885ITGAL 4811/4885

“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.

Send feedback