SCHEMBL1108708

SCHEMBL1108708

CC(=O)N1CCC(c2nnc(C3(c4ccccc4)CC3)n2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
USP2 O75604 2/20 0.40
TSHR P16473 1/20 0.40
QDPR P09417 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39
EPHX2 P34913 1/20 0.39
DRD2 P14416 1/20 0.39
HSD11B1 P28845 4/20 0.38
HTR2B P41595 1/20 0.38
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL1108728 0.84 OPRD1 (0.43) OPRD1OPRK1USP2TSHRALDH1A1
SCHEMBL1108796 0.83 ALDH1A1 (0.43) OPRD1ALDH1A1HSD17B10ALOX15POLB
SCHEMBL1108798 0.81 HSD17B10 (0.41) OPRD1TSHRALDH1A1HSD17B10ALOX15
SCHEMBL1108790 0.81 HSD11B1 (0.46) ALDH1A1HSD11B1
SCHEMBL1108792 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10ALOX15POLBHSD11B1
SCHEMBL1108714 0.79 MEN1 (0.45) HSD11B1
SCHEMBL1108791 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10ALOX15HSD11B1CYP2C19
SCHEMBL1108852 0.79 OPRD1 (0.47) OPRD1OPRK1USP2ALDH1A1HSD17B10
SCHEMBL1108721 0.76 HSD11B1 (0.39) OPRD1OPRK1HSD11B1CYP2C19CYP3A4
SCHEMBL1108786 0.75 ALDH1A1 (0.40) OPRD1OPRK1ALDH1A1KDM4EPOLB

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 OPRD1 3232/4885OPRK1 2618/4885USP2 3018/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 OPRD1 3328/4885OPRK1 2598/4885USP2 3682/4885

“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.