SCHEMBL2931121

SCHEMBL2931121

C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
GAA P10253 3/20 0.56
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KCNH3 Q9ULD8 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ATP1A1 P05023 1/20 0.47
ATP1B1 P05026 1/20 0.47
ATP1A3 P13637 1/20 0.47
ATP1B2 P14415 1/20 0.47
ATP1A2 P50993 1/20 0.47
ATP1B3 P54709 1/20 0.47
FXYD2 P54710 1/20 0.47
ATP1A4 Q13733 1/20 0.47
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL11205766 1.00 ALDH1A1 (0.62) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL10389939 1.00 ALDH1A1 (0.62) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL28676692 0.92 GAA (0.61) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL1884341 0.85 GAA (0.73) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6376702 0.85 GAA (0.73) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL5604987 0.85 GAA (0.73) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL11207120 0.82 ALDH1A1 (0.65) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL673127 0.82 ALDH1A1 (0.67) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL3408275 0.82 ALDH1A1 (0.65) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL3246564 0.81 MEN1 (0.47) ALDH1A1GAAMEN1KMT2AKDM4E

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 8 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
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US 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
CN-101115715-A Pyrrolidine derivatives for the treatment of diseases associated with renin activity NOVARTIS AG (CH) 2008-01-30 CN 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
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 ALDH1A1 494/4885GAA 84/4885MEN1 1437/4885

“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.