SCHEMBL1108877

SCHEMBL1108877

CC1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 3/20 0.43
PKM P14618 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HSD11B1 P28845 10/20 0.41
LMNA P02545 1/20 0.40
NR1I2 O75469 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
DRD4 P21917 1/20 0.38
HSD11B2 P80365 3/20 0.38
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1108856 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108833 0.88 OPRM1 (0.43) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1099659 0.87 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108868 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108891 0.86 HSD11B1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108837 0.86 OPRM1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108829 0.85 NOTUM (0.41) KMT2ATSHROPRM1OPRD1OPRK1
SCHEMBL1108831 0.85 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108840 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108839 0.85 HSD11B1 (0.53) OPRM1OPRD1OPRK1HSD11B1NR1I2

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 KMT2A 3174/4885TSHR 1976/4885MEN1 2815/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 KMT2A 3005/4885TSHR 778/4885MEN1 2451/4885

“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.