SCHEMBL2939291

SCHEMBL2939291

O=C(O)NCc1ccccc1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
BRD4 O60885 2/20 0.51
BRD9 Q9H8M2 2/20 0.51
GAA P10253 4/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNQ2 O43526 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5281170 0.87 SCN2A (0.53) SCN2ASCN10AALDH1A1CYP1A2CYP3A4
SCHEMBL2936357 0.86 FABP3 (0.65) SCN2ASCN10AALDH1A1CYP3A4CYP2C19
SCHEMBL2755880 0.85 FABP3 (0.67) SCN2ASCN10AALDH1A1CYP3A4CYP2C19
SCHEMBL6554165 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL31226086 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL3127155 0.80 BRD4 (0.53) SCN2ASCN10AALDH1A1CYP1A2CYP3A4
SCHEMBL2040202 0.79 PPID (0.54) SCN2ASCN10AALDH1A1BRD4BRD9
SCHEMBL19421315 0.79 TPH1 (0.49) SCN2ASCN10AALDH1A1CYP1A2CYP3A4
SCHEMBL18539241 0.78 BRD4 (0.49) SCN2ASCN10AALDH1A1CYP1A2CYP3A4
SCHEMBL23355286 0.78 SCN10A (0.60) SCN2ASCN10AALDH1A1CYP1A2CYP3A4

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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD SCN2A 2813/4885SCN10A 2610/4885ALDH1A1 494/4885

“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.