SCHEMBL1108887

SCHEMBL1108887

COC(=O)c1cc(OC2CCN(c3nnc(C4(c5ccccc5)CC4)n3C)CC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CCR3 P51677 14/20 0.39
HRH1 P35367 13/20 0.39
KCNH2 Q12809 10/20 0.39
FFAR4 Q5NUL3 3/20 0.37
ACACB O00763 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
SCHEMBL1108889 0.92 HRH1 (0.44) HSD11B1CCR3HRH1KCNH2FFAR4
SCHEMBL1108890 0.91 HSD11B1 (0.40) HSD11B1CCR3HRH1KCNH2FFAR4
SCHEMBL1108870 0.86 HSD11B1 (0.41) HSD11B1ACACB
SCHEMBL1108873 0.85 EPHX2 (0.41) CCR3KCNH2
SCHEMBL1108875 0.84 SCN1A (0.40) HSD11B1
SCHEMBL1108888 0.84 HSD11B1 (0.41) HSD11B1CCR3HRH1KCNH2FFAR4
SCHEMBL1108860 0.82 HSD11B1 (0.57) HSD11B1
SCHEMBL1108869 0.81 SRD5A1 (0.47) HSD11B1CCR3HRH1KCNH2ACACB
SCHEMBL1108871 0.81 OPRK1 (0.43) HSD11B1CCR3HRH1KCNH2
SCHEMBL1108881 0.80 SCN9A (0.48) KCNH2

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 HSD11B1 1/4885CCR3 1882/4885HRH1 3796/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HSD11B1 41/4885CCR3 2071/4885HRH1 3627/4885

“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.