SCHEMBL1108892

SCHEMBL1108892

COC(=O)C1(C)CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA3 P22001 1/20 0.39
OPRD1 P41143 4/20 0.38
HSD11B1 P28845 7/20 0.37
ADRA1A P35348 6/20 0.37
OPRM1 P35372 3/20 0.37
OPRK1 P41145 2/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRA1D P25100 4/20 0.36
ADRA1B P35368 2/20 0.36
NR1I2 O75469 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1108827 0.90 KCNA3 (0.48) KCNA3OPRD1HSD11B1ADRA1AOPRM1
SCHEMBL1108894 0.88 HSD11B1 (0.40) OPRD1HSD11B1ADRA1AOPRM1OPRK1
SCHEMBL1108895 0.86 OPRD1 (0.39) OPRD1HSD11B1ADRA1AOPRM1OPRK1
SCHEMBL1108830 0.82 SMN1; SMN2 (0.44) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL1108884 0.82 OPRD1 (0.43) OPRD1HSD11B1OPRM1OPRK1NR1I2
SCHEMBL1108883 0.81 HSD11B1 (0.44) OPRD1HSD11B1OPRM1OPRK1KCNH2
SCHEMBL1108828 0.81 AKR1C1 (0.44) MEN1KMT2AKCNA3OPRD1HSD11B1
SCHEMBL1108852 0.80 OPRD1 (0.47) KMT2AOPRD1HSD11B1OPRK1NR1I2
SCHEMBL1108867 0.80 OPRM1 (0.49) OPRD1HSD11B1OPRM1OPRK1NR1I2
SCHEMBL1108865 0.79 OPRL1 (0.46) OPRD1HSD11B1OPRM1OPRK1

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 MEN1 2815/4885KMT2A 3174/4885KCNA3 3296/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 MEN1 2451/4885KMT2A 3005/4885KCNA3 2393/4885

“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.