SCHEMBL1108878

SCHEMBL1108878

Cn1c(N2CCC(Oc3ccc(C#N)cc3)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.51
HSD11B1 P28845 2/20 0.43
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 1/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
GPR6 P46095 1/20 0.38
RET P07949 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
SCHEMBL1108860 0.88 HSD11B1 (0.57) HSD11B1
SCHEMBL1108876 0.88 HSD11B1 (0.45) HSD11B1FPR2PROKR1OXTRAVPR1A
SCHEMBL1108869 0.85 SRD5A1 (0.47) HSD11B1OXTRAVPR1A
SCHEMBL1108870 0.83 HSD11B1 (0.41) HSD11B1OXTRAVPR1A
SCHEMBL1108868 0.82 OPRM1 (0.40) HRH3HSD11B1OXTRAVPR1A
SCHEMBL1108871 0.81 OPRK1 (0.43) HSD11B1
SCHEMBL1108911 0.80 HSD11B1 (0.40) HSD11B1
SCHEMBL1108854 0.80 SCD (0.50) HSD11B1
SCHEMBL1108880 0.79 OPRK1 (0.52)
SCHEMBL1108879 0.79 OPRK1 (0.39) HSD11B1OXTRAVPR1A

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 HRH3 3554/4885HSD11B1 1/4885FPR2 4160/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HRH3 2968/4885HSD11B1 41/4885FPR2 3981/4885

“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.