SCHEMBL4930664

SCHEMBL4930664

O=C(NO)[C@@H]1CCCN1C(=O)c1cc2cccnc2cc1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ HTR3A P46098 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL4930657 1.00 POLB (0.44) POLBRXFP1F2GSK3BTRPV1
SCHEMBL4920860 0.85 RXFP1 (0.50) RXFP1
SCHEMBL4920854 0.85 RXFP1 (0.50) RXFP1
SCHEMBL16735620 0.78 KCNH2 (0.45) POLBRXFP1
SCHEMBL4916455 0.78 F2 (0.41) POLBF2
SCHEMBL4916459 0.78 F2 (0.41) POLBF2
SCHEMBL16735624 0.77 CNR1 (0.43) POLBRXFP1HTR3ACNR1CNR2
SCHEMBL4924222 0.73 L3MBTL1 (0.50) POLBF2CHRNA7
SCHEMBL4924225 0.73 L3MBTL1 (0.50) POLBF2CHRNA7
SCHEMBL16735662 0.72 HSP90AA1 (0.57) —

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 — — US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 — — 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 POLB 2152/4885RXFP1 3485/4885F2 3881/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 POLB 2516/4885RXFP1 3683/4885F2 4178/4885

“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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