SCHEMBL4887952

SCHEMBL4887952

CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2)c(-c2nnn(C(C)(C)c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.59
AGTR2 P50052 3/20 0.59
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP3A4 P08684 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45

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
SCHEMBL27937302 0.93 AGTR1 (0.69) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL991977 0.86 AGTR1 (0.69) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL10109219 0.85 AGTR1 (0.72) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8199740 0.81 AGTR1 (0.73) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL14258672 0.80 AGTR1 (0.72) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL5138819 0.80 AGTR1 (0.64) AGTR1AGTR2ABCC3ABCC4ABCB11
Potassium Ion SCHEMBL16872384 0.80 AGTR1 (0.60) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL991961 0.79 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL28484414 0.79 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL3425230 0.78 AGTR1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076932-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE COMPOUNDS DIPHARMA FRANCIS S.R.L. (IT) 2008-03-27 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-20080076932-A1 A PROCESS FOR THE PREPARATION OF PHENYLTETRAZOLE COMPOUNDS CYP4A11, PPOX, CYP11B2 AGTR1 74/4885AGTR2 51/4885ABCC3 2665/4885

“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.