SCHEMBL5098947

SCHEMBL5098947

N#Cc1cccc(C(=O)NCc2ccc(OC3CCNC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.50
ROCK2 O75116 3/20 0.47
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
MAOA P21397 1/20 0.46
BCL9 O00512 2/20 0.46
CTNNB1 P35222 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
HTR2C P28335 1/20 0.44
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKN2 Q16513 1/20 0.44

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
Hydrochloric Acid SCHEMBL5099660 0.83 F10 (0.54)
SCHEMBL7985996 0.80 GAA (0.56) CHRM3HTR2CALDH1A1SMN1; SMN2GAA
SCHEMBL7986109 0.79 MAOB (0.55) CHRM3ALDH1A1SMN1; SMN2GAA
SCHEMBL7972494 0.79 MAOB (0.55) CHRM3ALDH1A1SMN1; SMN2GAA
SCHEMBL5094230 0.79 F10 (0.53) CHRM3HRH1CCR3EGFRBTK
SCHEMBL7983889 0.78 MAOB (0.54) CHRM3ALDH1A1SMN1; SMN2GAA
SCHEMBL7983783 0.78 MAOB (0.54) CHRM3ALDH1A1SMN1; SMN2GAA
SCHEMBL7982716 0.78 MAOB (0.54) CHRM3ALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL5093103 0.77 F10 (0.48) ROCK2HSD17B10
SCHEMBL5091359 0.77 CHRM3 (0.54) CHRM3ROCK2MAOAEGFRBTK

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
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 2002-05-22 EP disclosed
WO-2001010823-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-15 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 CHRM3 305/4885ROCK2 3176/4885HRH1 422/4885

“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.