SCHEMBL1108707

SCHEMBL1108707

OCCn1c(C2CCN(c3c(Cl)cncc3Cl)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
AVPR1A P37288 5/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HSD11B1 P28845 8/20 0.33
NR1I2 O75469 5/20 0.32
OPRD1 P41143 1/20 0.32
SLC18A3 Q16572 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRB2 P07550 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1108704 0.90 CYP3A4 (0.37) CYP3A4AVPR1AHCAR2HSD11B1NR1I2
SCHEMBL1108715 0.90 CYP3A4 (0.39) CYP3A4AVPR1AHCAR2HSD11B1OPRD1
SCHEMBL1108703 0.86 CYP3A4 (0.37) CYP3A4AVPR1AHCAR2OPRD1HSD17B10
SCHEMBL1108721 0.86 HSD11B1 (0.39) CYP3A4HSD11B1NR1I2OPRD1CCNC
SCHEMBL1108711 0.86 CYP3A4 (0.36) CYP3A4AVPR1AHCAR2OPRD1
SCHEMBL1108709 0.86 CYP3A4 (0.36) CYP3A4AVPR1AHCAR2OPRD1
SCHEMBL1108712 0.82 HSD11B1 (0.43) HSD11B1NR1I2
SCHEMBL1108717 0.80 ADRB2 (0.41) CYP3A4HSD11B1NR1I2CCNCCDK8
SCHEMBL1108728 0.79 OPRD1 (0.43) CYP3A4AVPR1AHCAR2HSD11B1OPRD1
SCHEMBL1108706 0.78 HSD11B1 (0.44) HSD11B1NR1I2CYP2C19

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 63/4885AVPR1A 1852/4885HCAR2 754/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 CYP3A4 39/4885AVPR1A 2351/4885HCAR2 763/4885

“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.