SCHEMBL4936458

SCHEMBL4936458

COCC(=O)N1CC(=NOCc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
PEX14 O75381 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
CFD P00746 3/20 0.37
EPHX2 P34913 1/20 0.36
MC4R P32245 3/20 0.36
MC3R P41968 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
MC1R Q01726 2/20 0.34
GAA P10253 1/20 0.34
SSTR3 P32745 1/20 0.34
OPRK1 P41145 1/20 0.34
CCR4 P51679 1/20 0.34
TSHR P16473 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL4936450 1.00 P2RX7 (0.40) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL4945653 0.91 P2RX7 (0.42) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL4945655 0.91 P2RX7 (0.42) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL5736465 0.88 CCR4 (0.41) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL5736469 0.88 CCR4 (0.41) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL5484587 0.86 P2RX7 (0.37) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL5484586 0.86 P2RX7 (0.37) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL4944148 0.83 GLP1R (0.39) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL4944155 0.83 GLP1R (0.39) P2RX7PEX14CYP1A2CYP3A4CYP2D6
SCHEMBL4942827 0.81 MMP1 (0.42) P2RX7CYP3A4MAPTCYP2C19CFD

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 251/4885PEX14 1190/4885CYP1A2 1142/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 P2RX7 258/4885PEX14 976/4885CYP1A2 1533/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS P2RX7 1994/4885PEX14 1635/4885CYP1A2 1243/4885

“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.