SCHEMBL1108725

SCHEMBL1108725

Cn1c(-c2ccc(NC(=O)CN3CCOCC3)cc2Cl)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD11B1 P28845 4/20 0.51
NR1I2 O75469 2/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL1108746 0.89 HSD11B1 (0.50) GAAHSD11B1NR1I2LMNASMN1; SMN2
SCHEMBL1108742 0.88 HSD11B1 (0.52) ALDH1A1GAANPSR1HSD11B1NR1I2
SCHEMBL1108731 0.87 HSD11B1 (0.48) ALDH1A1HSD11B1NR1I2LMNASMN1; SMN2
SCHEMBL1108718 0.86 HSD11B1 (0.57) HSD11B1NR1I2
SCHEMBL1108744 0.85 HSD11B1 (0.49) HSD11B1NR1I2
SCHEMBL1108726 0.84 HSD11B1 (0.55) HSD11B1NR1I2
SCHEMBL1108738 0.84 HSD11B1 (0.58) HSD11B1NR1I2
SCHEMBL1108723 0.83 HSD11B1 (0.54) HSD11B1NR1I2HPGD
SCHEMBL1108722 0.83 HSD11B1 (0.54) HSD11B1NR1I2
SCHEMBL1100049 0.83 HSD11B1 (0.57) 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 ALDH1A1 169/4885GAA 1189/4885NPSR1 1228/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 ALDH1A1 525/4885GAA 425/4885NPSR1 849/4885

“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.