SCHEMBL2937648

SCHEMBL2937648

CC(C)NC(=O)C1CN(Cc2ccccc2)CC1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ S1PR5 Q9H228 3/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2937649 1.00 RORC (0.44) RORCBCHEMAOBS1PR5S1PR1
SCHEMBL3369882 0.90 GBA1 (0.51) BCHEMAOBS1PR5S1PR1CYP3A4
SCHEMBL13105233 0.90 GBA1 (0.51) BCHEMAOBS1PR5S1PR1CYP3A4
SCHEMBL3369886 0.90 GBA1 (0.51) BCHEMAOBS1PR5S1PR1CYP3A4
SCHEMBL2934828 0.83 MAPT (0.52) RORCBCHEMAOBS1PR5S1PR1
SCHEMBL2936516 0.83 MAPT (0.52) RORCBCHEMAOBS1PR5S1PR1
SCHEMBL2934827 0.83 MAPT (0.52) RORCBCHEMAOBS1PR5S1PR1
SCHEMBL8226016 0.81 S1PR5 (0.55) RORCS1PR5S1PR1ALDH1A1GBA1
SCHEMBL2935926 0.81 S1PR5 (0.55) RORCS1PR5S1PR1ALDH1A1GBA1
SCHEMBL3912727 0.81 S1PR5 (0.55) RORCS1PR5S1PR1ALDH1A1GBA1

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 1425/4885BCHE 676/4885MAOB 157/4885

“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.

Send feedback