SCHEMBL17320369

SCHEMBL17320369

Cc1ccc2c(c1)CCN(C/C=C/C=O)C2=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
HRH3 Q9Y5N1 8/20 0.38
SRD5A1 P18405 1/20 0.36
AOC3 Q16853 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL17320374 0.87 GRM5 (0.43) GRM5HRH3AOC3
SCHEMBL18055594 0.85 HRH3 (0.42) GRM5PARP10PARP11HRH3AOC3
SCHEMBL17313301 0.84 PRMT5 (0.48) AOC3
SCHEMBL17313304 0.84 PRMT5 (0.48) AOC3
SCHEMBL12559553 0.82 PARP10 (0.44) GRM5PARP10PARP11HRH3SRD5A1
SCHEMBL8001449 0.82 GRM5 (0.48) GRM5PARP10PARP11HRH3SRD5A1
SCHEMBL14368227 0.75 GRM5 (0.48) GRM5HRH3
SCHEMBL8002591 0.75 HRH3 (0.48) GRM5HRH3AOC3
SCHEMBL17320372 0.75 GRM5 (0.45) GRM5HRH3AOC3
SCHEMBL12559556 0.74 GRM5 (0.44) GRM5PARP10PARP11HRH3SRD5A1

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-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 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-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS CBR3, CBR1, CYB5R3 GRM5 1039/4885PARP10 1463/4885PARP11 2108/4885

“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.