SCHEMBL4939779

SCHEMBL4939779

CO/N=C1\C[C@@H](C(=O)NCc2cccc3ccccc23)N(C(=O)CC(C)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
OXTR P30559 2/20 0.45
AVPR1A P37288 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MC4R P32245 2/20 0.41
MC1R Q01726 2/20 0.41
MC3R P41968 1/20 0.41
CFD P00746 1/20 0.39
EPHX2 P34913 1/20 0.39
NQO2 P16083 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4939790 1.00 P2RX7 (0.48) P2RX7OXTRAVPR1ATDP1MC4R
SCHEMBL4936897 0.87 P2RX7 (0.46) P2RX7OXTRAVPR1ATDP1MC4R
SCHEMBL4936894 0.87 P2RX7 (0.46) P2RX7OXTRAVPR1ATDP1MC4R
SCHEMBL6967859 0.86 OXTR (0.51) OXTRAVPR1ATDP1MC4RLMNA
SCHEMBL4943362 0.86 OXTR (0.51) OXTRAVPR1ATDP1MC4RLMNA
SCHEMBL4943366 0.86 OXTR (0.51) OXTRAVPR1ATDP1MC4RLMNA
SCHEMBL4942686 0.79 POLB (0.45) OXTRAVPR1AMAPTKMT2ALMNA
SCHEMBL4936797 0.79 POLB (0.45) OXTRAVPR1AMAPTKMT2ALMNA
SCHEMBL4942668 0.79 POLB (0.45) OXTRAVPR1AMAPTKMT2ALMNA
SCHEMBL4936162 0.79 P2RX7 (0.44) P2RX7OXTRTDP1MC4RMC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US claimed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US claimed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US claimed
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 P2RX7 251/4885OXTR 1/4885AVPR1A 203/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 P2RX7 258/4885OXTR 1/4885AVPR1A 261/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS P2RX7 1994/4885OXTR 189/4885AVPR1A 1456/4885

“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.