SCHEMBL2930718

SCHEMBL2930718

COc1cc(N(C[C@H]2CNC[C@H]2c2cccc(C(C)C)c2)c2ccccc2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.40
CTSD P07339 2/20 0.40
CTSE P14091 2/20 0.40
PGC P20142 2/20 0.40
ROCK2 O75116 1/20 0.34
LTC4S Q16873 2/20 0.33
DPP4 P27487 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR1E P28566 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL13404498 1.00 REN (0.40) RENCTSDCTSEPGCROCK2
SCHEMBL2930717 1.00 REN (0.40) RENCTSDCTSEPGCROCK2
SCHEMBL2929371 0.87 REN (0.45) RENROCK2LTC4SHTR1AHTR2A
SCHEMBL8264382 0.87 REN (0.45) RENROCK2LTC4SHTR1AHTR2A
SCHEMBL2929370 0.87 REN (0.45) RENROCK2LTC4SHTR1AHTR2A
SCHEMBL8261947 0.86 REN (0.54) RENCTSDCTSEPGCROCK2
SCHEMBL2936881 0.86 REN (0.54) RENCTSDCTSEPGCROCK2
SCHEMBL2936879 0.86 REN (0.54) RENCTSDCTSEPGCROCK2
SCHEMBL2934849 0.78 REN (0.67) RENCTSDCTSEPGCHTR1A
SCHEMBL2934847 0.78 REN (0.67) RENCTSDCTSEPGCHTR1A

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 claimed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US claimed
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 1/4885CTSD 153/4885CTSE 598/4885

“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.