SCHEMBL2931712

SCHEMBL2931712

COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C)C(C)C)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.57
HTR1A P08908 2/20 0.52
ADRA1D P25100 2/20 0.52
HTR2A P28223 2/20 0.52
ADRA1A P35348 2/20 0.52
ADRA1B P35368 2/20 0.52
HTR2B P41595 2/20 0.52
KCNH2 Q12809 2/20 0.52
CYP3A4 P08684 1/20 0.49

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
SCHEMBL2931711 1.00 REN (0.57) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13404589 1.00 REN (0.57) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2934646 0.92 REN (0.57) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8262511 0.92 REN (0.60) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2937059 0.90 REN (0.54) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL13438544 0.89 REN (0.57) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2932548 0.89 REN (0.57) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8264534 0.88 REN (0.60) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3611260 0.88 REN (0.60) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2932226 0.88 REN (0.60) RENHTR1AADRA1DHTR2AADRA1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 US disclosed
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
US-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 US disclosed
US-7615558-B2 6-arylmethylprazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 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
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2007-07-12 US 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 (3 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 1/4885HTR1A 2770/4885ADRA1D 114/4885
US-20100035900-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 REN 2063/4885HTR1A 588/4885ADRA1D 373/4885
US-20070161662-A1 6-Arylmethyl-substituted pyrazolopyrimidines P2RX6, P2RY6, GRM6 REN 2063/4885HTR1A 588/4885ADRA1D 373/4885

“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.