SCHEMBL2979028

SCHEMBL2979028

CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](CN(Cc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1D1 P20393 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CACNB4 O00305 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
SCHEMBL8263141 1.00 REN (0.42) RENALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2979026 1.00 REN (0.42) RENALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2932387 0.88 REN (0.46) RENLMNAMAPTNR1D1MEN1
SCHEMBL3611195 0.88 REN (0.46) RENLMNAMAPTNR1D1MEN1
SCHEMBL2932386 0.88 REN (0.46) RENLMNAMAPTNR1D1MEN1
SCHEMBL8263139 0.87 REN (0.45) RENMEN1KMT2ACACNB4CACNA1A
SCHEMBL2936409 0.87 REN (0.45) RENMEN1KMT2ACACNB4CACNA1A
SCHEMBL2938751 0.87 REN (0.45) RENMEN1KMT2ACACNB4CACNA1A
SCHEMBL2936411 0.87 REN (0.45) RENMEN1KMT2ACACNB4CACNA1A
SCHEMBL2930620 0.87 REN (0.45) RENMEN1KMT2ACACNB4CACNA1A

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 2 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

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 REN 1/4885ALDH1A1 494/4885LMNA 2796/4885

“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.