SCHEMBL1108843

SCHEMBL1108843

CNC(=O)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41
PDK2 Q15119 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
RORC P51449 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
MEN1 O00255 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
SCHEMBL1108829 0.89 NOTUM (0.41) ALDH1A1KDM4ELMNAGAAPOLB
SCHEMBL1108830 0.87 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2LTA4HPDK2KDM4E
SCHEMBL1108841 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4ELMNAGAA
SCHEMBL1108845 0.85 CYP46A1 (0.43) CYP46A1ALDH1A1PDK2RORCPOLB
SCHEMBL1108837 0.83 OPRM1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL1108856 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL1108834 0.83 CKS1B (0.44) ALDH1A1LTA4HKDM4ERORCOPRM1
SCHEMBL1108877 0.81 KMT2A (0.43) ALDH1A1LMNAGAAOPRM1OPRD1
SCHEMBL1108833 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1
SCHEMBL1108831 0.80 OPRM1 (0.41) LTA4HOPRM1OPRD1OPRK1

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 CYP46A1 20/4885RXFP1 1399/4885ALDH1A1 169/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 CYP46A1 23/4885RXFP1 733/4885ALDH1A1 525/4885

“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.