SCHEMBL12490707

SCHEMBL12490707

BN1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.68
OPRL1 P41146 7/20 0.67
OPRM1 P35372 6/20 0.67
OPRD1 P41143 5/20 0.67
OPRK1 P41145 5/20 0.67
SLC6A9 P48067 1/20 0.64
SLC18A3 Q16572 1/20 0.61

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
SCHEMBL22605436 0.85 HSD17B10 (0.68) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL5962828 0.85 HSD17B10 (0.68) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL5781495 0.84 HSD17B10 (0.67) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL2539061 0.83 OPRM1 (0.77) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL318707 0.82 HSD17B10 (0.65) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL219618 0.81 HSD17B10 (1.00) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL7587764 0.81 HSD17B10 (1.00) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL5962890 0.81 OPRM1 (0.79) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL21688403 0.81 HSD17B10 (0.63) HSD17B10OPRL1OPRM1OPRD1OPRK1
SCHEMBL9912156 0.81 OPRL1 (0.74) HSD17B10OPRL1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 HSD17B10 595/4885OPRL1 196/4885OPRM1 1209/4885

“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.