SCHEMBL1108859

SCHEMBL1108859

Cn1c(N2CCC(Cc3ccccc3)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CCR3 P51677 1/20 0.42
NR3C1 P04150 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41

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
SCHEMBL1108831 0.87 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL1108886 0.85 MMP3 (0.41) OPRM1OPRD1OPRK1
SCHEMBL1108877 0.84 KMT2A (0.43) ALDH1A1HTTLMNATSHROPRM1
SCHEMBL1108856 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL1108833 0.83 OPRM1 (0.43) OPRM1OPRD1OPRK1
SCHEMBL1099659 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1NR3C1CARM1
SCHEMBL1108868 0.81 OPRM1 (0.40) OPRM1OPRD1OPRK1MAPK1HTR1A
SCHEMBL1108891 0.81 HSD11B1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL1108837 0.81 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL1108853 0.81 OPRM1 (0.39) ALDH1A1MAPTHTTLMNATSHR

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 169/4885MAPT 3682/4885HTT 3637/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 ALDH1A1 525/4885MAPT 3774/4885HTT 3909/4885

“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.