SCHEMBL21632030

SCHEMBL21632030

NCC(NCC(=O)O)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 14/20 0.45
PTGFR P43088 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL168304 0.81 CTSA (0.47) CTSALMNAMAPTNISCH
SCHEMBL21656326 0.79 ADRB2 (0.40) CTSANISCHADRB2ADRB1
SCHEMBL257263 0.78 LMNA (0.55) CTSALMNAMAPTNISCH
Hydrochloric Acid SCHEMBL11798359 0.76 NISCH (0.42) CTSALMNAMAPTNISCHADRB2
Hydrochloric Acid SCHEMBL11651005 0.75 NISCH (0.45) CTSALMNAMAPTNISCHADRB2
SCHEMBL21632020 0.74 SGMS2 (0.40) CTSAPTGFRMAPTADRB2ADRB1
SCHEMBL11624515 0.73 NISCH (0.53) LMNANISCHADRB2ADRB1
SCHEMBL349398 0.72 GABBR2 (0.61) CTSALMNANISCH
SCHEMBL8278779 0.72 NISCH (0.45) LMNAMAPTNISCHADRB2ADRB1
Potassium Ion SCHEMBL28641891 0.72 ADRB2 (0.40) CTSAADRB2ADRB1

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
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP 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 CTSA 36/4885PTGFR 1050/4885LMNA 694/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX CTSA 36/4885PTGFR 1050/4885LMNA 694/4885

“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.