SCHEMBL20207141

SCHEMBL20207141

C[C@@H]1CCCN1Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.56
▸ OPRM1 P35372 13/20 0.56
▸ OPRD1 P41143 9/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ HRH3 Q9Y5N1 3/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ PARP15 Q460N3 1/20 0.47
▸ PARP14 Q460N5 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ PARP16 Q8N5Y8 1/20 0.47
▸ PARP11 Q9NR21 1/20 0.47
▸ PARP4 Q9UKK3 1/20 0.47

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
SCHEMBL23380264 0.81 HRH3 (0.60) ALDH1A1HRH3KMT2A
SCHEMBL20202210 0.79 OPRK1 (0.57) OPRK1OPRM1OPRD1
SCHEMBL6223358 0.79 ALDH1A1 (0.60) ALDH1A1HRH3
SCHEMBL492101 0.78 HRH3 (0.69) ALDH1A1HRH3KMT2A
SCHEMBL20202207 0.78 OPRK1 (0.56) OPRK1OPRM1OPRD1
SCHEMBL20202212 0.78 OPRK1 (0.56) OPRK1OPRM1OPRD1
SCHEMBL30007295 0.78 OPRK1 (0.56) OPRK1OPRM1OPRD1
SCHEMBL20187332 0.78 OPRK1 (0.56) OPRK1OPRM1OPRD1
SCHEMBL20202205 0.78 OPRK1 (0.56) OPRK1OPRM1OPRD1
SCHEMBL20202198 0.78 OPRK1 (0.56) OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 — — US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 — — 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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885OPRD1 2/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885OPRD1 2/4885

“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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