SCHEMBL22639701

SCHEMBL22639701

COc1ccc([C@@H]2CCCN2CCN)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.49
OPRM1 P35372 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 1/20 0.44
IL33 O95760 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNA7 P36544 1/20 0.42

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
SCHEMBL18306590 1.00 OPRK1 (0.49) OPRK1OPRM1HRH3MEN1KMT2A
SCHEMBL23507317 0.88 DRD2 (0.57) OPRK1OPRM1HRH3MEN1KMT2A
SCHEMBL28519807 0.85 OPRK1 (0.52) OPRK1OPRM1HRH3MEN1KMT2A
SCHEMBL8537692 0.83 THRB (0.53) OPRK1OPRM1HRH3ALDH1A1DRD2
SCHEMBL18862021 0.83 OPRK1 (0.52) OPRK1OPRM1HRH3MEN1KMT2A
SCHEMBL11512485 0.82 OPRK1 (0.57) OPRK1OPRM1HRH3MEN1KMT2A
SCHEMBL8542014 0.81 SMN1; SMN2 (0.50) OPRK1OPRM1HRH3ALDH1A1DRD2
SCHEMBL11939036 0.80 DRD2 (0.49) OPRK1OPRM1HRH3MEN1KMT2A
SCHEMBL11452553 0.80 CHRNB2 (0.56) OPRK1OPRM1MEN1KMT2AALDH1A1
SCHEMBL11509465 0.79 OPRK1 (0.58) OPRK1OPRM1HRH3MEN1KMT2A

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 OPRK1 1223/4885OPRM1 1010/4885HRH3 1847/4885

“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.