SCHEMBL4938867

SCHEMBL4938867

NC(=O)[C@@H]1[C@H](N)[C@@H]2C=C[C@H]1C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.35
POLB P06746 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
APEX1 P27695 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL28071819 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL399572 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL7088576 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL12952342 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL17320247 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL4938419 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL6981275 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL13282093 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL3779843 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
Hydrochloric Acid SCHEMBL31029934 0.98 ALDH1A1 (0.50) ALDH1A1CYP2C19RAB9APOLBTDP1

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 7 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-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP 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 3384/4885CYP2C19 1014/4885RAB9A 2840/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 ALDH1A1 3219/4885CYP2C19 812/4885RAB9A 2058/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS ALDH1A1 3249/4885CYP2C19 906/4885RAB9A 4204/4885

“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.