SCHEMBL4944503

SCHEMBL4944503

N#C/C=C1\C[C@@H](C(=O)NCc2cccc3ccccc23)N(C(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
MC4R P32245 2/20 0.41
MC1R Q01726 2/20 0.41
MC3R P41968 1/20 0.41
DPP4 P27487 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CFD P00746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PREP P48147 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL4944506 1.00 P2RX7 (0.46) P2RX7MC4RMC1RMC3RDPP4
SCHEMBL4936631 0.72 P2RX7 (0.45) P2RX7MC4RMC1RMC3RMAPT
SCHEMBL4936627 0.72 P2RX7 (0.45) P2RX7MC4RMC1RMC3RMAPT
SCHEMBL1383286 0.70 P2RX7 (0.46) P2RX7MC4RMC1RMC3RMAPT
SCHEMBL4033443 0.69 P2RX7 (0.48) P2RX7MC4RMC1RMC3RDPP4
SCHEMBL6980444 0.69 P2RX7 (0.52) P2RX7MC4RMC1RMC3RMAPT
SCHEMBL4942705 0.69 P2RX7 (0.52) P2RX7MC4RMC1RMC3RMAPT
SCHEMBL4949498 0.69 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRCYP2C19
SCHEMBL6983490 0.69 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRCYP2C19
SCHEMBL4949503 0.69 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRCYP2C19

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 P2RX7 251/4885MC4R 1909/4885MC1R 824/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 P2RX7 258/4885MC4R 1797/4885MC1R 682/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS P2RX7 1994/4885MC4R 4471/4885MC1R 2330/4885

“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.