SCHEMBL1108917

SCHEMBL1108917

CN(c1ccccc1)c1nnc(C2(c3ccccc3)CC2)n1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.43
NR1I2 O75469 2/20 0.41
GAA P10253 1/20 0.38
HSD11B2 P80365 3/20 0.37
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36

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
SCHEMBL1108918 0.91 HSD11B1 (0.53) HSD11B1NR1I2HSD11B2
SCHEMBL1108920 0.91 HSD11B1 (0.46) HSD11B1NR1I2HSD11B2
SCHEMBL1108919 0.83 HSD11B1 (0.39) HSD11B1NR1I2HSD11B2OPRM1PIK3CD
SCHEMBL1108808 0.81 HSD11B1 (0.54) HSD11B1NR1I2HSD11B2DRD4OPRM1
SCHEMBL1108916 0.75 HSD11B1 (0.44) HSD11B1NR1I2OPRM1
SCHEMBL1108954 0.72 HSD11B1 (0.41) HSD11B1NR1I2HSD11B2
SCHEMBL1108923 0.71 HSD11B1 (0.40) HSD11B1NR1I2
SCHEMBL1108926 0.70 HSD11B1 (0.39) HSD11B1NR1I2OPRM1
SCHEMBL1108776 0.69 HSD11B1 (0.60) HSD11B1NR1I2HSD11B2
SCHEMBL1108915 0.69 HSD11B1 (0.43) HSD11B1NR1I2HSD11B2DRD4OPRM1

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 HSD11B1 1/4885NR1I2 211/4885GAA 1189/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HSD11B1 41/4885NR1I2 606/4885GAA 425/4885

“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.