SCHEMBL7049020

SCHEMBL7049020

CC(C)(C)Oc1ccccc1-c1ccc(CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
HRH3 Q9Y5N1 1/20 0.42
MAOB P27338 2/20 0.40
CSNK2A1 P68400 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H2 P55055 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
AKT2 P31751 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SYK P43405 2/20 0.37
ADRB2 P07550 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36
GRM2 Q14416 1/20 0.36
RORC P51449 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL8221610 0.83 FFAR4 (0.50) TAAR1HRH3RORC
SCHEMBL2006742 0.81 HTR7 (0.51) TAAR1HRH3SYKSLC13A5GRM2
SCHEMBL8017279 0.80 HTR7 (0.46) TP53MAPK1RAB9AADRB2
Hydrogen Sulfide SCHEMBL27894468 0.79 HTR7 (0.42) TP53MAPK1RAB9ASYKADRB2
SCHEMBL27515199 0.78 HTR7 (0.44) TP53MAPK1RAB9ASYKADRB2
SCHEMBL28290206 0.78 PTPRC (0.53) TAAR1HRH3TP53MAPK1RAB9A
SCHEMBL27344682 0.77 HTR7 (0.43) TP53MAPK1RAB9AADRB2
Ammonia Solution, Strong SCHEMBL9905559 0.77 PTPRC (0.51) TAAR1HRH3TP53MAPK1RAB9A
SCHEMBL2574287 0.77 CSNK2A1 (0.49) TAAR1HRH3CSNK2A1TP53MAPK1
SCHEMBL2571712 0.75 TP53 (0.54) TAAR1HRH3CSNK2A1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301464-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2003-04-16 EP disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US disclosed
WO-2002004403-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-17 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 (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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 TAAR1 1645/4885HRH3 2320/4885MAOB 1850/4885

“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.