SCHEMBL4949503

SCHEMBL4949503

O=C(NCc1ccco1)[C@@H]1CC(=CCl)CN1C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL6983490 1.00 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL4949498 1.00 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL7219644 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL4938283 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL4945310 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL4943162 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL7090117 0.74 OXTR (0.67) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL4945261 0.74 OXTR (0.67) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL7090115 0.74 OXTR (0.67) ALDH1A1KMT2AMEN1CYP2C19USP2
SCHEMBL4942737 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR ALDH1A1 3384/4885KMT2A 2950/4885MEN1 4853/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 ALDH1A1 3219/4885KMT2A 3594/4885MEN1 4860/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS ALDH1A1 3249/4885KMT2A 2727/4885MEN1 4751/4885

“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.