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SCHEMBL1108709

SCHEMBL1108709

CC(=O)NCCn1c(C2CCN(c3c(Cl)cncc3Cl)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ SLC6A9 P48067 2/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CCR5 P51681 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL1108703 0.87 CYP3A4 (0.37) CYP3A4SLC6A9HCAR2GAAATM
SCHEMBL1108715 0.87 CYP3A4 (0.39) CYP3A4SLC6A9HCAR2GAAATM
SCHEMBL1108711 0.86 CYP3A4 (0.36) CYP3A4SLC6A9HCAR2GAAATM
SCHEMBL1108707 0.86 CYP3A4 (0.37) CYP3A4HCAR2AVPR1AOPRD1
SCHEMBL1108704 0.84 CYP3A4 (0.37) CYP3A4HCAR2AVPR1AOPRD1OPRM1
SCHEMBL1108721 0.82 HSD11B1 (0.39) CYP3A4OPRD1OPRM1OPRK1
SCHEMBL1108728 0.80 OPRD1 (0.43) CYP3A4SLC6A9HCAR2AVPR1AOPRD1
SCHEMBL1108712 0.78 HSD11B1 (0.43) —
SCHEMBL1108717 0.76 ADRB2 (0.41) CYP3A4OPRM1
SCHEMBL1108706 0.74 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 63/4885ADRA1A 1111/4885SLC6A9 603/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 CYP3A4 39/4885ADRA1A 1220/4885SLC6A9 402/4885

“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.