SCHEMBL2401865

SCHEMBL2401865

NC(=O)C1(C(=O)O)CC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.46
MAOA P21397 16/20 0.46
MAOB P27338 16/20 0.46
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL307974 0.92 KDM1A (0.48) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL5435422 0.88 MAPK1 (0.50) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL28206522 0.86 KDM1A (0.43) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL4133969 0.84 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL4134830 0.84 KDM1A (0.41) KDM1AMAOAMAOB
SCHEMBL4134868 0.84 KDM1A (0.48) KDM1A
SCHEMBL4150540 0.82 KDM1A (0.40) KDM1AMAOAMAOB
SCHEMBL4134001 0.82 KDM1A (0.47) KDM1A
SCHEMBL8905787 0.82 F2 (0.40)
SCHEMBL2594172 0.78 KDM1A (0.44) KDM1A

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-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 KDM1A 3042/4885MAOA 2039/4885MAOB 1705/4885

“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.