SCHEMBL1108797

SCHEMBL1108797

COCCNC(=O)C1CCN(c2ccc(-c3nnc(C4(c5ccccc5)CC4)n3C)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
HSD11B1 P28845 12/20 0.44
NR1I2 O75469 6/20 0.44
HPGD P15428 2/20 0.44
EPHX2 P34913 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL1108755 0.88 HSD11B1 (0.46) HSD11B1NR1I2
SCHEMBL1108754 0.87 HSD11B1 (0.49) HSD11B1NR1I2
SCHEMBL1108756 0.87 HSD11B1 (0.49) HSD11B1NR1I2
SCHEMBL1108802 0.87 HSD11B1 (0.45) HSD11B1NR1I2CHRM2CHRM1
SCHEMBL1108752 0.85 HSD11B1 (0.52) HSD11B1NR1I2
SCHEMBL1108795 0.84 HSD11B1 (0.51) HSD11B1NR1I2
SCHEMBL1108801 0.82 HSD11B1 (0.49) HSD11B1NR1I2
SCHEMBL1108773 0.82 HSD11B1 (0.58) HSD11B1NR1I2HPGD
Hydrochloric Acid SCHEMBL1101367 0.81 HSD11B1 (0.57) HSD11B1NR1I2HPGD
SCHEMBL1108799 0.81 HSD11B1 (0.50) HSD11B1NR1I2

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 NOTUM 125/4885HSD11B1 1/4885NR1I2 211/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 NOTUM 49/4885HSD11B1 41/4885NR1I2 606/4885

“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.