SCHEMBL24700174

SCHEMBL24700174

CN(c1ccccc1)C1CCN(C(=O)NCCCCc2ccccc2)C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 4/20 0.43
▸ ASAH1 Q13510 3/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ DRD3 P35462 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
Hydrochloric Acid SCHEMBL23123885 0.99 OPRD1 (0.45) NAMPTOPRD1OPRM1ASAH1EPHX2
Hydrochloric Acid SCHEMBL29795146 0.90 KEAP1 (0.41) NAMPTOPRD1OPRM1ASAH1EPHX2
SCHEMBL23124056 0.81 EPHX2 (0.52) NAMPTASAH1EPHX2SIGMAR1FKBP1A
SCHEMBL23124249 0.79 FKBP1A (0.48) NAMPTASAH1EPHX2FKBP1A
SCHEMBL24700666 0.78 ASAH1 (0.51) NAMPTASAH1EPHX2FKBP1A
SCHEMBL23123655 0.78 OPRM1 (0.51) NAMPTOPRD1OPRM1ASAH1EPHX2
Hydrochloric Acid SCHEMBL23123245 0.78 ASAH1 (0.50) NAMPTASAH1EPHX2FKBP1A
SCHEMBL23123649 0.77 NAMPT (0.45) NAMPTOPRM1ASAH1EPHX2OPRL1
SCHEMBL23124126 0.77 EPHX2 (0.47) NAMPTASAH1EPHX2SIGMAR1
SCHEMBL24700279 0.74 NAMPT (0.54) NAMPTASAH1EPHX2FKBP1A

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 NAMPT 92/4885OPRD1 1327/4885OPRM1 1690/4885

“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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