SCHEMBL21179535

SCHEMBL21179535

NCCc1cn(C2CCNCC2)c2ccc(OC(N)=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR1A P08908 7/20 0.38
▸ HTR1D P28221 7/20 0.38
▸ HTR1B P28222 7/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ OPRL1 P41146 2/20 0.37
▸ HTR6 P50406 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL21179646 0.85 OPRK1 (0.39) OPRM1OPRK1OPRL1HTR6MEN1
SCHEMBL21179533 0.83 HTR6 (0.42) ADRB2HTR1AHTR1DHTR1BOPRM1
SCHEMBL20213221 0.80 OPRL1 (0.66) OPRM1OPRK1OPRL1
SCHEMBL20213224 0.80 OPRL1 (0.66) OPRM1OPRK1OPRL1
SCHEMBL30813307 0.80 OPRL1 (0.66) OPRM1OPRK1OPRL1
SCHEMBL21179650 0.72 HTR6 (0.40) OPRM1OPRK1OPRL1HTR6
SCHEMBL23034680 0.72 OPRM1 (0.43) OPRM1OPRK1OPRL1HTR6
SCHEMBL10716617 0.70 MEN1 (0.42) OPRM1OPRK1OPRL1MEN1KMT2A
SCHEMBL20213038 0.69 OPRL1 (0.71) OPRM1OPRK1OPRL1
SCHEMBL20213039 0.69 OPRL1 (0.71) OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827617-B2 Piperidinyl nociceptin receptor compounds ASTRAEA THERAPEUTICS, LLC (US) 2023-11-28 — — US disclosed
US-20210053937-A1 PIPERIDINYL NOCICEPTIN RECEPTOR COMPOUNDS ASTRAEA THERAPEUTICS, LLC 2021-02-25 — — US disclosed
US-10358432-B2 Piperdinyl nociceptin receptor compounds ASTRAEA THERAPEUTICS, LLC (US) 2019-07-23 — — 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 (3 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-11827617-B2 Piperidinyl nociceptin receptor compounds OPRL1, OPRK1, OPRM1 ADRB2 292/4885CYP1A2 2641/4885CYP2C9 3488/4885
US-20210053937-A1 PIPERIDINYL NOCICEPTIN RECEPTOR COMPOUNDS OPRL1, OPRK1, OPRM1 ADRB2 292/4885CYP1A2 2641/4885CYP2C9 3488/4885
US-10358432-B2 Piperdinyl nociceptin receptor compounds OPRL1, OPRK1, OPRD1 ADRB2 281/4885CYP1A2 2809/4885CYP2C9 3444/4885

“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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