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SCHEMBL1108703

SCHEMBL1108703

CNC(=O)CCn1c(C2CCN(c3c(Cl)cncc3Cl)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PRCP P42785 4/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ AVPR1A P37288 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ SSTR2 P30874 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL1108715 0.91 CYP3A4 (0.39) CYP3A4HCAR2GAAATMPRCP
SCHEMBL1108711 0.91 CYP3A4 (0.36) CYP3A4HCAR2GAAATMPRCP
SCHEMBL1108709 0.87 CYP3A4 (0.36) CYP3A4HCAR2GAAATMSLC6A9
SCHEMBL1108707 0.86 CYP3A4 (0.37) CYP3A4HCAR2OPRD1AVPR1AHSD17B10
SCHEMBL1108704 0.85 CYP3A4 (0.37) CYP3A4HCAR2OPRM1OPRD1AVPR1A
SCHEMBL1108721 0.82 HSD11B1 (0.39) CYP3A4OPRM1OPRD1
SCHEMBL1108728 0.79 OPRD1 (0.43) CYP3A4HCAR2CYP2C9SLC6A9OPRD1
SCHEMBL1108712 0.79 HSD11B1 (0.43) —
SCHEMBL1108717 0.77 ADRB2 (0.41) CYP3A4OPRM1
SCHEMBL1108706 0.75 HSD11B1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 — — US disclosed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 — — US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 — — US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 — — US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 — — US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 — — US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 — — US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 — — 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 (2 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-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO HSD11B1, HSD17B1, HSD17B3 CYP3A4 63/4885HCAR2 754/4885CYP2C9 118/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 CYP3A4 39/4885HCAR2 763/4885CYP2C9 86/4885

“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.