SCHEMBL588365

SCHEMBL588365

Cc1ccc(C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.41
AGTR2 P50052 9/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL594529 0.86 MAPT (0.35) AGTR1AGTR2KDM4EALDH1A1MAPT
SCHEMBL2798231 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL2799471 0.82 CYP11B1 (0.45) AGTR1AGTR2
SCHEMBL9871103 0.81 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL13474406 0.81 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7322677 0.81 MAPT (0.39) AGTR1AGTR2ALDH1A1MAPT
SCHEMBL6962635 0.80 AKT1 (0.36) AGTR1AGTR2
SCHEMBL6955822 0.80 TP53 (0.41) AGTR1AGTR2
SCHEMBL9871897 0.80 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9851505 0.80 AGTR1 (0.41) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753746-B8 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM SPA (IT) 2012-02-15 EP disclosed
EP-1753746-B1 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM SPA (IT) 2011-07-27 EP disclosed
US-7906501-B2 Pyrrole derivatives with angiotensin II antagonist activity ROTTAPHARM S.P.A. (IT) 2011-03-15 US disclosed
US-20070244170-A1 Novel Pyrrole Derivatives with Angiotensin II Antagonist Activity ROTTAPHARM BIOTECH S.R.L. (IT) 2007-10-18 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-20070244170-A1 Novel Pyrrole Derivatives with Angiotensin II Antagonist Activity AGTR2, AGTR1, REN AGTR1 2/4885AGTR2 1/4885KDM4E 3791/4885

“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.