SCHEMBL15550328

SCHEMBL15550328

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2C(N)=NO)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.66
ABCB11 O95342 1/20 0.66
EGFR P00533 1/20 0.66
ERBB2 P04626 1/20 0.66
CYP3A4 P08684 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CYP2C9 P11712 1/20 0.66
ADRB3 P13945 1/20 0.66
ADRA2B P18089 1/20 0.66
SLC6A2 P23975 1/20 0.66
TBXAS1 P24557 1/20 0.66
HTR2C P28335 1/20 0.66
PPARG P37231 1/20 0.66
HTR2B P41595 1/20 0.66
AGTR2 P50052 1/20 0.66
PDE3A Q14432 1/20 0.66
LTB4R2 Q9NPC1 1/20 0.66

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
SCHEMBL13974155 1.00 AGTR1 (0.66) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL15551208 1.00 AGTR1 (0.66) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL13745398 0.92 AGTR1 (0.65) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL16367902 0.91 AGTR2 (0.55) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL15157485 0.91 AGTR2 (0.55) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL17695745 0.91 AGTR2 (0.55) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL15157487 0.91 AGTR2 (0.55) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL31364599 0.91 PPARG (0.70) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL29257718 0.91 PPARG (0.70) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL3975959 0.91 AGTR1 (0.75) AGTR1ABCB11EGFRERBB2CYP3A4

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-9527850-B2 Benzyl piperidine compounds as lysophosphatidic acid (LPA) receptor antagonist MERCK PATENT GMBH (DE) 2016-12-27 US claimed
WO-2013186792-A2 PROCESS FOR THE PREPARATION OF (5-METHYL-2-OXO-L,3-DIOXOI-4-VL)METHVL 2- ETHOXV-L-{[2'-(5-OXO-4,5-DIHVDRO-L,2,4-OXADIAZOL-3-VL)BIPHENYI-4-VL]METHYL}- LH-BENZIMIDAZOLE-7-CARBOXYIATE AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2013-12-19 WO claimed
US-9527850-B2 Benzyl piperidine compounds as lysophosphatidic acid (LPA) receptor antagonist MERCK PATENT GMBH (DE) 2016-12-27 US disclosed
US-20150011774-A1 PROCESS FOR THE PREPARATION OF AZILSARTAN MEDOXOMIL OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF RANBAXY LABORATORIES LIMITED (IN) 2015-01-08 US disclosed
US-20150011557-A1 Benzyl Piperidine Compounds as Lysophosphatidic Acid (LPA) Receptor Antagonist MERCK PATENT GMBH (DE) 2015-01-08 US disclosed
WO-2013186792-A2 PROCESS FOR THE PREPARATION OF (5-METHYL-2-OXO-L,3-DIOXOI-4-VL)METHVL 2- ETHOXV-L-{[2'-(5-OXO-4,5-DIHVDRO-L,2,4-OXADIAZOL-3-VL)BIPHENYI-4-VL]METHYL}- LH-BENZIMIDAZOLE-7-CARBOXYIATE AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2013-12-19 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 (2 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-20150011557-A1 Benzyl Piperidine Compounds as Lysophosphatidic Acid (LPA) Receptor Antagonist LPAR1, LPAR2, LPAR5 AGTR1 227/4885ABCB11 1865/4885EGFR 579/4885
US-20150011774-A1 PROCESS FOR THE PREPARATION OF AZILSARTAN MEDOXOMIL OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF REN, AGTR2, CYP4A11 AGTR1 4/4885ABCB11 1615/4885EGFR 2573/4885

“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.