SCHEMBL21714384

SCHEMBL21714384

O=S(=O)(C1CCC1)N1CCC(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.60
OPRM1 P35372 4/20 0.60
OPRK1 P41145 3/20 0.60
HSD11B1 P28845 9/20 0.52
CCR2 P41597 2/20 0.45
AXL P30530 2/20 0.43
ATR Q13535 1/20 0.43
ATRIP Q8WXE1 1/20 0.43

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
SCHEMBL20111623 0.89 OPRL1 (0.56) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL20111641 0.87 OPRL1 (0.54) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL21714371 0.87 OPRL1 (0.56) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL20112228 0.86 OPRL1 (0.53) OPRL1OPRM1OPRK1HSD11B1AXL
SCHEMBL21714204 0.86 OPRL1 (0.53) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL21714645 0.86 OPRL1 (0.53) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL18324723 0.85 OPRL1 (0.59) OPRL1OPRM1OPRK1HSD11B1AXL
SCHEMBL23153236 0.85 HSD11B1 (0.56) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL20111763 0.85 OPRL1 (0.53) OPRL1OPRM1OPRK1HSD11B1CCR2
SCHEMBL21714511 0.85 OPRL1 (0.51) OPRL1OPRM1OPRK1HSD11B1CCR2

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-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US claimed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO OPRL1 3722/4885OPRM1 2285/4885OPRK1 2423/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO OPRL1 3657/4885OPRM1 2365/4885OPRK1 2508/4885

“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.