SCHEMBL1977761

SCHEMBL1977761

Clc1ccc(C2=NCCC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 9/20 0.54
CHRNA3 P32297 9/20 0.54
AHR P35869 3/20 0.48
PGR P06401 3/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.42
CHRNA7 P36544 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15665457 0.78 CHRNB4 (0.55) CHRNB4CHRNA3PGRALDH1A1CYP1A2
SCHEMBL17398232 0.76 CHRNB4 (0.90) CHRNB4CHRNA3PGRALDH1A1CYP1A2
SCHEMBL18985115 0.75 CHRNB4 (0.67) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL14047263 0.73 CHRNB4 (0.54) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL30022452 0.73 MAOA (0.45) AHRALDH1A1CYP1A2HPGDSLC6A3
SCHEMBL24322363 0.72 ALDH1A1 (0.51) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL20819791 0.72 CHRNB4 (0.53) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL24363905 0.70 AHR (0.41) AHRPGRALDH1A1CYP1A2CYP2C19
SCHEMBL4693339 0.69 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL24414772 0.69 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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
CN-102112473-B Pyrrolidinyl-alkyl-amide derivatives, process for their preparation and their therapeutic use as CCR3 receptor ligands SANOFI AVENTIS 2014-08-20 CN disclosed
EP-2318402-B1 Pyrrolidinyl-alkyl-amide derivatives their preparation and their therapeutic application as CCR3 receptor ligands SANOFI SA (FR) 2014-04-30 EP disclosed
US-8420636-B2 Pyrrolidinyl-alkyl-amide derivatives, their preparation, and their therapeutic application as CCR3 receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2011-06-16 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-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS CCR3, CCR1, CCR4 CHRNB4 1176/4885CHRNA3 167/4885AHR 286/4885

“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.