SCHEMBL26359031

SCHEMBL26359031

C=C1Nc2ccccc2C(=O)N2CCC[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CDK4 P11802 2/20 0.43
▸ VCP P55072 1/20 0.43
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ CDK1 P06493 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ CCNA2 P20248 1/20 0.39

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
SCHEMBL5121758 0.85 ALDH1A1 (0.68) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL7709727 0.85 ALDH1A1 (0.68) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL7270310 0.85 ALDH1A1 (0.68) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL11981360 0.83 ALDH1A1 (0.52) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL11896998 0.83 ALDH1A1 (0.52) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL5710904 0.81 ALDH1A1 (0.62) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL10977219 0.76 ALDH1A1 (0.55) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL10974938 0.76 ALDH1A1 (0.55) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL10974936 0.76 ALDH1A1 (0.55) ALDH1A1GAAHPGDHSD17B10KDM4E
SCHEMBL29987788 0.73 HTR2A (0.59) ALDH1A1GAAHPGDHSD17B10KDM4E

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-20230303581-A1 ORALLY BIOAVAILABLE, BRAIN-PENETRANT COMPOUND WITH SELECTIVITY FOR THE CANNABINOID TYPE 2 RECEPTOR WITH POTENTIAL USE TOWARDS VISCERAL PAIN MANAGEMENT AND NEURODEGENERATIVE DISORDERS UNIV MISSISSIPPI (US) 2023-09-28 — — 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-20230303581-A1 ORALLY BIOAVAILABLE, BRAIN-PENETRANT COMPOUND WITH SELECTIVITY FOR THE CANNABINOID TYPE 2 RECEPTOR WITH POTENTIAL USE TOWARDS VISCERAL PAIN MANAGEMENT AND NEURODEGENERATIVE DISORDERS CNR2, CNR1, OPRL1 ALDH1A1 3481/4885GAA 3891/4885HPGD 1245/4885

“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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