Sugi Predict

Sugi Predict / Compounds / SCHEMBL4936631

SCHEMBL4936631

SCHEMBL4936631

O=C(NCc1cccc2ccccc12)[C@@H]1CC(=CCl)CN1C(=O)COc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MC4R P32245 2/20 0.40
▸ MC1R Q01726 2/20 0.40
▸ MC3R P41968 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CFD P00746 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NR1D1 P20393 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CPT2 P23786 3/20 0.36
▸ CPT1A P50416 3/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL4936627 1.00 P2RX7 (0.45) P2RX7TDP1L3MBTL1MC4RMC1R
SCHEMBL4936894 0.82 P2RX7 (0.46) P2RX7TDP1L3MBTL1MC4RMC1R
SCHEMBL4936897 0.82 P2RX7 (0.46) P2RX7TDP1L3MBTL1MC4RMC1R
SCHEMBL4936157 0.81 P2RX7 (0.44) P2RX7TDP1L3MBTL1MC4RMC1R
SCHEMBL4936162 0.81 P2RX7 (0.44) P2RX7TDP1L3MBTL1MC4RMC1R
SCHEMBL4942827 0.80 MMP1 (0.42) P2RX7L3MBTL1MC4RMC1RMC3R
SCHEMBL4942820 0.80 MMP1 (0.42) P2RX7L3MBTL1MC4RMC1RMC3R
SCHEMBL4944503 0.72 P2RX7 (0.46) P2RX7TDP1MC4RMC1RMC3R
SCHEMBL4944506 0.72 P2RX7 (0.46) P2RX7TDP1MC4RMC1RMC3R
SCHEMBL4941715 0.72 MAPT (0.59) MAPTMEN1KMT2ALMNAALDH1A1

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 5 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-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-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 (2 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 4171/4885L3MBTL1 4637/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS P2RX7 1994/4885TDP1 2479/4885L3MBTL1 3709/4885

“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.