SCHEMBL3372036

SCHEMBL3372036

COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2CNC(=O)CC2CCOCC2)C(C)C)ccc1C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.72
CYP3A4 P08684 1/20 0.62
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
HTR2A P28223 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
HTR2B P41595 2/20 0.54
KCNH2 Q12809 2/20 0.54

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
SCHEMBL3373293 0.89 REN (0.66) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3369190 0.88 REN (0.68) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL13068921 0.84 REN (0.63) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3375712 0.84 REN (0.63) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL8257728 0.84 REN (0.75) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL8258973 0.84 REN (0.72) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL8260542 0.84 REN (0.65) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL5493803 0.84 REN (1.00) RENCYP3A4
SCHEMBL2935580 0.84 REN (1.00) RENCYP3A4
SCHEMBL13104859 0.83 REN (0.64) 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 6 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 claimed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US 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
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US 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 1/4885CYP3A4 218/4885HTR1A 2156/4885

“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.