SCHEMBL15020537

SCHEMBL15020537

COCc1nn2c(-c3cccc(F)c3)cc(N3CCCC3CO)nc2c1-c1ccc2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ SCD5 Q86SK9 5/20 0.34
▸ SYK P43405 2/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FYN P06241 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
SCHEMBL15020889 0.93 KDM4E (0.36) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL15021385 0.93 FPR2 (0.40) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL15020601 0.91 ALDH1A1 (0.40) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL15020607 0.89 ITGB2 (0.39) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL15020543 0.88 FPR2 (0.37) ITGB2ICAM1ITGALFPR2SCN9A
SCHEMBL15020764 0.88 FPR2 (0.37) ITGB2ICAM1ITGALFPR2SCN9A
SCHEMBL15020670 0.84 LMNA (0.37) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL15020906 0.84 ALDH1A1 (0.40) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL257696 0.82 ITGB2 (0.40) KDM4EALDH1A1ITGB2ICAM1ITGAL
SCHEMBL15020757 0.81 FPR2 (0.39) KDM4EALDH1A1ITGB2ICAM1ITGAL

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 6 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 claimed
EP-2617723-A2 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR Amorepacific Corporation (KR) 2013-07-24 — — EP claimed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 — — US claimed
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

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 KDM4E 2294/4885ALDH1A1 2139/4885ITGB2 4807/4885

“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.

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