SCHEMBL1108717

SCHEMBL1108717

Cn1c(C2CCN(c3c(Cl)cncc3Cl)CC2)nnc1C1(c2ccccc2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
HSD11B1 P28845 8/20 0.36
CCNC P24863 9/20 0.36
CDK8 P49336 9/20 0.36
OPRM1 P35372 1/20 0.36
NR1I2 O75469 3/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1108721 0.93 HSD11B1 (0.39) ADRB2HSD11B1CCNCCDK8OPRM1
SCHEMBL1108712 0.91 HSD11B1 (0.43) HSD11B1NR1I2
SCHEMBL1108728 0.85 OPRD1 (0.43) HSD11B1CYP3A4
SCHEMBL1108706 0.85 HSD11B1 (0.44) HSD11B1NR1I2
Hydrochloric Acid SCHEMBL1100547 0.84 HSD11B1 (0.43) HSD11B1NR1I2CYP3A4
SCHEMBL1108707 0.80 CYP3A4 (0.37) ADRB2HSD11B1CCNCCDK8NR1I2
SCHEMBL1108704 0.80 CYP3A4 (0.37) ADRB2HSD11B1OPRM1NR1I2CYP3A4
SCHEMBL1108714 0.79 MEN1 (0.45) HSD11B1OPRM1NR1I2
SCHEMBL1108715 0.77 CYP3A4 (0.39) HSD11B1CYP3A4
SCHEMBL1108703 0.77 CYP3A4 (0.37) OPRM1CYP3A4

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 ADRB2 1307/4885HSD11B1 1/4885CCNC 4581/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 ADRB2 880/4885HSD11B1 41/4885CCNC 4489/4885

“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.