SCHEMBL3400914

SCHEMBL3400914

COCCCOc1cc(C(=O)N(CC2CNCC2CO)C(C)C)ccc1OC

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.79
HTR1A P08908 2/20 0.79
ADRA1D P25100 2/20 0.79
HTR2A P28223 2/20 0.79
ADRA1A P35348 2/20 0.79
ADRA1B P35368 2/20 0.79
HTR2B P41595 2/20 0.79
KCNH2 Q12809 2/20 0.79

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
SCHEMBL3438349 1.00 REN (0.79) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3438422 0.96 REN (0.84) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2934198 0.91 REN (0.77) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2934231 0.91 REN (0.77) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8260494 0.91 REN (0.77) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2934196 0.91 REN (0.77) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371193 0.90 REN (0.75) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3371197 0.90 REN (0.75) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8263529 0.90 REN (0.79) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL2932893 0.90 REN (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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-20080194549-A1 Organic Compounds REN, ACE, OTC REN 1/4885HTR1A 2156/4885ADRA1D 296/4885

“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.