SCHEMBL2990336

SCHEMBL2990336

CN(C(=O)O)c1nccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
CYP2A6 P11509 1/20 0.46
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 3/20 0.42
PLAU P00749 2/20 0.42
NPC1 O15118 2/20 0.42
F12 P00748 1/20 0.42
NCF1 P14598 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
LMNA P02545 1/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
KCNH2 Q12809 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
S100A4 P26447 1/20 0.39

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
SCHEMBL4266442 0.78 CYP2A6 (0.55) CNR2CYP2A6CYP3A4TSHRCYP2C19
SCHEMBL13367553 0.78 CYP2A6 (0.55) CNR2CYP2A6CYP3A4TSHRCYP2C19
SCHEMBL13367359 0.76 EGFR (0.56) CNR2CYP2A6PLAUF12NCF1
SCHEMBL9379285 0.75 PDE5A (0.52) CYP2A6CYP3A4TSHRCYP2C19RAB9A
SCHEMBL5430549 0.75 PLAU (0.52) CNR2CYP2A6CYP3A4TSHRCYP2C19
SCHEMBL12934730 0.72 CYP2A6 (0.48) CNR2CYP2A6CYP3A4TSHRCYP2C19
SCHEMBL31098956 0.72 PLAU (0.47) CNR2CYP2A6CYP3A4TSHRCYP2C19
SCHEMBL16484700 0.72 PLAU (0.47) CNR2CYP2A6CYP3A4TSHRCYP2C19
SCHEMBL29666490 0.72 SIGMAR1 (0.67) CNR2SIGMAR1
SCHEMBL1614544 0.72 SIGMAR1 (0.67) CNR2SIGMAR1

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 3 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
CN-101115715-A Pyrrolidine derivatives for the treatment of diseases associated with renin activity NOVARTIS AG (CH) 2008-01-30 CN 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 CNR2 3313/4885CYP2A6 985/4885CYP3A4 959/4885

“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.