SCHEMBL21632085

SCHEMBL21632085

N#CC(CCCC(=O)O)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.48
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL21631932 0.91 CCR1 (0.44) CCR1ALDH1A1MAPK1CYP1A2CYP2D6
SCHEMBL28417165 0.91 CCR1 (0.44) CCR1ALDH1A1MAPK1CYP1A2CYP2D6
SCHEMBL21632173 0.83 MEN1 (0.43) CCR1ALDH1A1MEN1KMT2AFFAR1
SCHEMBL21656588 0.82 CCR1 (0.42) CCR1ALDH1A1CYP2D6
SCHEMBL11863611 0.80 CCR1 (0.48) CCR1CYSLTR2CYSLTR1ALDH1A1CYP2D6
SCHEMBL11845744 0.78 CCR1 (0.47) CCR1CYSLTR2CYSLTR1ALDH1A1CYP2D6
SCHEMBL20536529 0.78 CYSLTR2 (0.46) CYSLTR2CYSLTR1ALDH1A1HDAC3HDAC4
SCHEMBL21708682 0.78 CCR1 (0.39) CCR1CYSLTR2CYSLTR1ALDH1A1MEN1
SCHEMBL11851164 0.77 CCR1 (0.46) CCR1CYSLTR2CYSLTR1ALDH1A1SMN1; SMN2
SCHEMBL6203964 0.77 KMT2A (0.55) ALDH1A1MAPK1SMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 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 (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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX CCR1 543/4885CYSLTR2 119/4885CYSLTR1 352/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CCR1 543/4885CYSLTR2 119/4885CYSLTR1 352/4885

“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.