SCHEMBL17544720

SCHEMBL17544720

CCc1cnc(CNCc2cc(C(=O)OC)cc(C)n2)n1CCCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.35
▸ SCARB1 Q8WTV0 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17544594 0.91 AGTR1 (0.33) —
SCHEMBL17544778 0.79 TP53 (0.39) KDM5ASMN1; SMN2
SCHEMBL17544555 0.78 AGTR1 (0.39) ALDH1A1CYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL17549943 0.76 EHMT2 (0.38) SMN1; SMN2
SCHEMBL17544557 0.75 BRD4 (0.33) CNR2MC4RALDH1A1TSHRSMN1; SMN2
SCHEMBL17549921 0.74 CASR (0.37) TSHRSMN1; SMN2
SCHEMBL17544842 0.74 CNR2 (0.33) CNR2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17549942 0.70 TP53 (0.39) KDM5ASMN1; SMN2
SCHEMBL17544743 0.70 CNR2 (0.32) CNR2MC4R
SCHEMBL17549892 0.70 AGTR1 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 CNR2 4696/4885SCARB1 4193/4885MC4R 4510/4885

“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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