SCHEMBL2985802

SCHEMBL2985802

COCCCOc1cc(C(=O)N(CC2CNCC2NS(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
CYP3A4 P08684 3/20 1.00
HTR1A P08908 2/20 0.77
ADRA1D P25100 2/20 0.77
HTR2A P28223 2/20 0.77
ADRA1A P35348 2/20 0.77
ADRA1B P35368 2/20 0.77
HTR2B P41595 2/20 0.77
KCNH2 Q12809 2/20 0.77

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
SCHEMBL2931195 1.00 REN (1.00) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2936894 1.00 REN (1.00) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2932453 0.93 REN (0.87) RENCYP3A4
SCHEMBL2936487 0.93 REN (0.86) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2935947 0.93 REN (0.86) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2936120 0.93 REN (0.86) RENCYP3A4
SCHEMBL2938433 0.93 REN (0.86) RENCYP3A4
SCHEMBL2937865 0.93 REN (1.00) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2936386 0.92 REN (0.85) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL2931598 0.92 REN (0.85) RENCYP3A4HTR1AADRA1DHTR2A

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 1/4885CYP3A4 959/4885HTR1A 2770/4885

“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.