SCHEMBL1752153

SCHEMBL1752153

O=C(Nc1ccc(-c2ccccc2)cc1)C1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.59
SCN9A Q15858 2/20 0.59
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
HDAC1 Q13547 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
DHODH Q02127 1/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL17676966 1.00 SCN3A (0.59) SCN3ASCN9ARAB9ALMNAHDAC1
SCHEMBL17676961 1.00 SCN3A (0.59) SCN3ASCN9ARAB9ALMNAHDAC1
SCHEMBL13388756 0.94 SCN3A (0.64) SCN3ASCN9ARAB9ALMNAHDAC1
SCHEMBL23373341 0.92 PFKFB3 (0.58) SCN3ASCN9ARAB9ALMNAHDAC1
SCHEMBL9352214 0.91 HPGD (0.56) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL2392383 0.91 HPGD (0.56) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL2172641 0.91 HPGD (0.56) SCN3ASCN9AHDAC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL4306381 0.89 SCN3A (0.56) SCN3ASCN9AHDAC1HDAC3HDAC4
SCHEMBL10327022 0.89 PSMB8 (0.50) SCN3ASCN9ARAB9ALMNAHDAC1
SCHEMBL31188291 0.89 SCN3A (0.57) SCN3ASCN9ARAB9ALMNAHDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
WO-2010140636-A1 ASYMMETRIC HYDROGENATION CATALYST 高砂香料工業株式会社 (JP) 2010-12-09 WO disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 SCN3A 1855/4885SCN9A 1184/4885RAB9A 4303/4885
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 SCN3A 4269/4885SCN9A 3221/4885RAB9A 2238/4885

“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.