SCHEMBL1749514

SCHEMBL1749514

O=C(NCc1ccc(-c2ccccc2)cc1)C1CCCN1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.73
HTR2B P41595 4/20 0.70
HDAC1 Q13547 4/20 0.69
KDM4E B2RXH2 1/20 0.59
CTSC P53634 3/20 0.57
GID4 Q8IVV7 1/20 0.54
SCN9A Q15858 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC2 Q92769 1/20 0.52
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL5154669 0.92 HTR2C (0.77) HTR2CHTR2BHDAC1KDM4ECTSC
SCHEMBL1789145 0.92 HTR2C (0.77) HTR2CHTR2BHDAC1KDM4ECTSC
SCHEMBL7874030 0.92 HTR2C (0.77) HTR2CHTR2BHDAC1KDM4ECTSC
Hydrochloric Acid SCHEMBL7607289 0.90 HTR2C (0.75) HTR2CHTR2BHDAC1KDM4ECTSC
Hydrochloric Acid SCHEMBL18337901 0.90 HTR2C (0.75) HTR2CHTR2BHDAC1KDM4ECTSC
Hydrochloric Acid SCHEMBL4368425 0.90 HTR2C (0.75) HTR2CHTR2BHDAC1KDM4ECTSC
SCHEMBL9469301 0.87 HTR2C (0.71) HTR2CHTR2BHDAC1KDM4ECTSC
SCHEMBL9469302 0.87 HTR2C (0.71) HTR2CHTR2BHDAC1KDM4ECTSC
Hydrochloric Acid SCHEMBL18337653 0.86 HTR2C (0.70) HTR2CHTR2BHDAC1KDM4ECTSC
Hydrochloric Acid SCHEMBL18337654 0.86 HTR2C (0.70) HTR2CHTR2BHDAC1KDM4ECTSC

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-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-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 (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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 HTR2C 2451/4885HTR2B 1419/4885HDAC1 3368/4885

“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.