SCHEMBL2929359

SCHEMBL2929359

CC(C)c1cccc(C=CCN(CCC#N)Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPOR P19235 2/20 0.36
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
AR P10275 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX5AP P20292 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR1I2 O75469 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL2929355 1.00 BCHE (0.40) BCHEMEN1KMT2AEPORPOLB
SCHEMBL13177230 0.90 BCHE (0.49) BCHEMEN1KMT2AEPORDRD2
SCHEMBL2934586 0.84 MEN1 (0.48) BCHEMEN1KMT2APOLBGAA
SCHEMBL2934589 0.84 MEN1 (0.48) BCHEMEN1KMT2APOLBGAA
SCHEMBL13404491 0.83 BCHE (0.37) BCHEMEN1KMT2AEPORALOX5
SCHEMBL9016972 0.78 POLB (0.46) POLBGAAARALDH1A1KCNH2
SCHEMBL3914604 0.77 ALDH1A1 (0.41) BCHEMEN1KMT2APOLBGAA
SCHEMBL3914600 0.77 ALDH1A1 (0.41) BCHEMEN1KMT2APOLBGAA
SCHEMBL10962715 0.71 POLB (0.47) BCHEPOLBGAAARALDH1A1
SCHEMBL151627 0.71 ALDH1A1 (0.52) MEN1KMT2APOLBGAAAR

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 BCHE 676/4885MEN1 1437/4885KMT2A 3722/4885

“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.