SCHEMBL682618

SCHEMBL682618

CCCc1nc(C(C)(C)O)c(C(=O)Oc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.63
AGTR2 P50052 9/20 0.63
ABCC3 O15438 1/20 0.63
ABCC4 O15439 1/20 0.63
ABCB11 O95342 1/20 0.63
CYP3A4 P08684 1/20 0.63
PDE4D Q08499 1/20 0.63
PDE3A Q14432 1/20 0.63
SLCO1B3 Q9NPD5 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63

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
SCHEMBL683769 0.96 AGTR1 (0.58) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL683766 0.94 AGTR2 (0.55) AGTR1AGTR2ABCC3ABCC4ABCB11
Olmesartan Medoxomil SCHEMBL96150 0.89 AGTR2 (0.79) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL683400 0.88 AGTR1 (0.48) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL986792 0.87 AGTR1 (0.62) AGTR1AGTR2ABCC3ABCC4ABCB11
Hydrochloric Acid SCHEMBL7305266 0.86 AGTR1 (0.62) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL13853355 0.86 AGTR1 (0.63) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL16327937 0.86 AGTR1 (0.61) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL684073 0.86 AGTR1 (0.60) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL4019176 0.85 AGTR1 (0.70) AGTR1AGTR2ABCC3ABCC4ABCB11

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-8563586-B2 1,(3,)5-substituted imidazoles, their use in the treatment of hypertension and methods for their preparation ELDRUG S.A. (GR) 2013-10-22 US disclosed
US-8563586-B2 1,(3,)5-substituted imidazoles, their use in the treatment of hypertension and methods for their preparation ELDRUG S.A. (GR) 2013-10-22 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION ELDRUG S.A. (GR) 2010-07-01 US disclosed
US-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION ELDRUG S.A. (GR) 2010-07-01 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-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION AGTR1, AGTR2, AGT AGTR1 1/4885AGTR2 2/4885ABCC3 617/4885
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR1 3252/4885AGTR2 2610/4885ABCC3 4557/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885AGTR2 9/4885ABCC3 4229/4885

“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.