SCHEMBL3352684

SCHEMBL3352684

O=C1NCc2cc[c]cc2N1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MB P02144 1/20 0.33
MAPK1 P28482 1/20 0.33
CRBN Q96SW2 1/20 0.30

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
SCHEMBL1744832 0.85 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2MB
SCHEMBL3352960 0.82 CRBN (0.39) PDE3BPDE3ACRBN
SCHEMBL16145413 0.80
SCHEMBL1097748 0.73 AHR (0.53) PDE3BPDE3ACYP11B1CYP11B2CRBN
SCHEMBL45104 0.72 HTR5A (0.53) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL910409 0.72 NPC1 (0.55) PDE3BPDE3ACYP11B1CYP11B2CRBN
SCHEMBL3357269 0.71 CRBN (0.39) PDE3BPDE3ACYP11B1CYP11B2CRBN
SCHEMBL392241 0.69 CA12 (0.53)
SCHEMBL3345971 0.69 PNMT (0.31)
SCHEMBL3353117 0.69 CYP11B1 (0.38) PDE3BPDE3ACYP11B1CYP11B2

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
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN PDE3B 204/4885PDE3A 138/4885CYP11B1 3748/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 PDE3B 226/4885PDE3A 115/4885CYP11B1 1162/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA PDE3B 388/4885PDE3A 269/4885CYP11B1 1005/4885

“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.