SCHEMBL1108742

SCHEMBL1108742

Cn1c(-c2ccc(NC(=O)N3CCOCC3)cc2Cl)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.52
NR1I2 O75469 5/20 0.50
HSD11B2 P80365 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1100257 0.89 HSD11B1 (0.51) HSD11B1NR1I2HSD11B2MAPT
SCHEMBL1108725 0.88 ALDH1A1 (0.52) HSD11B1NR1I2ALDH1A1GAAMAPT
SCHEMBL1101580 0.86 HSD11B1 (0.49) HSD11B1NR1I2HSD11B2MAPT
SCHEMBL1108738 0.85 HSD11B1 (0.58) HSD11B1NR1I2HSD11B2
SCHEMBL1108766 0.85 HSD11B1 (0.61) HSD11B1NR1I2HSD11B2HPGD
SCHEMBL1100049 0.84 HSD11B1 (0.57) HSD11B1NR1I2HSD11B2
SCHEMBL1108718 0.84 HSD11B1 (0.57) HSD11B1NR1I2HSD11B2
SCHEMBL1101064 0.84 HSD11B1 (0.51) HSD11B1NR1I2HSD11B2MAPT
Hydrochloric Acid SCHEMBL1101368 0.84 HSD11B1 (0.60) HSD11B1NR1I2HSD11B2HPGD
SCHEMBL1108741 0.83 HSD11B1 (0.56) HSD11B1NR1I2HSD11B2KDM4E

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 211/4885HSD11B2 4/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HSD11B1 41/4885NR1I2 606/4885HSD11B2 31/4885

“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.