SCHEMBL15317735

SCHEMBL15317735

CN1[C@@H]2CC[C@H]1C[C@@H](c1ccc(C(C)(C)C)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.49
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ CHRM3 P20309 4/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ LIPE Q05469 1/20 0.39
▸ CNR2 P34972 2/20 0.39

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
SCHEMBL15317744 0.93 CNR2 (0.43) HSD11B1OPRM1OPRD1DRD2DRD3
SCHEMBL15317719 0.80 HSD11B1 (0.51) HSD11B1OPRM1OPRD1DRD2DRD3
SCHEMBL15317720 0.80 HSD11B1 (0.51) HSD11B1OPRM1OPRD1DRD2DRD3
SCHEMBL7458617 0.79 SLC6A2 (0.56) —
SCHEMBL10194861 0.79 SLC6A2 (0.56) —
SCHEMBL8205042 0.79 SLC6A2 (0.56) —
SCHEMBL7352894 0.79 SLC6A2 (0.56) —
SCHEMBL21467223 0.79 OPRM1 (0.46) HSD11B1OPRM1OPRD1LIPE
SCHEMBL15317736 0.79 OPRM1 (0.41) HSD11B1OPRM1OPRD1DRD2DRD3
SCHEMBL7560909 0.78 SLC6A2 (0.58) DRD2DRD3CHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — 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 (1 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 HSD11B1 212/4885OPRM1 4266/4885OPRD1 2881/4885

“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.

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