SCHEMBL2935783

SCHEMBL2935783

CC(C)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.44
PDE4B Q07343 8/20 0.43
NOTCH1 P46531 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 4/20 0.39
USP30 Q70CQ3 1/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
NAMPT P43490 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
SCHEMBL2935781 1.00 RORC (0.44) RORCPDE4BNOTCH1NPC1ALDH1A1
SCHEMBL6103551 0.84 RORC (0.48) RORCPDE4BTACR1USP30GPR119
SCHEMBL6103550 0.84 RORC (0.48) RORCPDE4BTACR1USP30GPR119
SCHEMBL26303125 0.84 RORC (0.60) RORCPDE4BTACR1USP30GPR119
SCHEMBL2335935 0.84 RORC (0.60) RORCPDE4BTACR1USP30GPR119
SCHEMBL2342856 0.84 RORC (0.60) RORCPDE4BTACR1USP30GPR119
SCHEMBL3614155 0.83 PDE4B (0.55) RORCPDE4BNOTCH1NPC1ALDH1A1
SCHEMBL3614158 0.83 PDE4B (0.55) RORCPDE4BNOTCH1NPC1ALDH1A1
SCHEMBL2933073 0.83 PDE4B (0.56) RORCPDE4BNOTCH1NPC1ALDH1A1
SCHEMBL2933074 0.83 PDE4B (0.56) RORCPDE4BNOTCH1NPC1ALDH1A1

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 RORC 1425/4885PDE4B 377/4885NOTCH1 4128/4885

“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.