SCHEMBL4945653

SCHEMBL4945653

CC(=O)N1C/C(=N/OCc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PEX14 O75381 1/20 0.40
EPHX2 P34913 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
GAA P10253 1/20 0.36
SSTR3 P32745 1/20 0.36
MC4R P32245 3/20 0.36
MC1R Q01726 2/20 0.36
MC3R P41968 2/20 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
SCHEMBL4945655 1.00 P2RX7 (0.42) P2RX7TDP1PEX14EPHX2CYP1A2
SCHEMBL4936450 0.91 P2RX7 (0.40) P2RX7PEX14EPHX2CYP1A2CYP3A4
SCHEMBL4936458 0.91 P2RX7 (0.40) P2RX7PEX14EPHX2CYP1A2CYP3A4
SCHEMBL5736465 0.87 CCR4 (0.41) P2RX7PEX14EPHX2CYP1A2CYP3A4
SCHEMBL5736469 0.87 CCR4 (0.41) P2RX7PEX14EPHX2CYP1A2CYP3A4
SCHEMBL5484586 0.86 P2RX7 (0.37) P2RX7PEX14EPHX2CYP1A2CYP3A4
SCHEMBL5484587 0.86 P2RX7 (0.37) P2RX7PEX14EPHX2CYP1A2CYP3A4
SCHEMBL4944148 0.86 GLP1R (0.39) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL4944155 0.86 GLP1R (0.39) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL7215356 0.82 PEX14 (0.41) P2RX7PEX14EPHX2CYP1A2CYP3A4

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 4 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
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

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 P2RX7 258/4885TDP1 4171/4885PEX14 976/4885

“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.