SCHEMBL21632003

SCHEMBL21632003

Cc1ccccc1C(C#N)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR1 O14842 2/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
CPA3 P15088 1/20 0.39
CHRM2 P08172 1/20 0.38
S1PR1 P21453 1/20 0.38
FPR1 P21462 1/20 0.38
FPR3 P25089 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 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
SCHEMBL21632320 0.85 MEN1 (0.47) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL8014347 0.85 ALDH1A1 (0.42) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL21656339 0.82 MEN1 (0.40) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL21632162 0.81 POLB (0.50) ALDH1A1MEN1LMNAKMT2ANPSR1
SCHEMBL21632189 0.81 CCR1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL21631932 0.81 CCR1 (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL28417165 0.81 CCR1 (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL21632072 0.79 FFAR1 (0.44) MEN1LMNAKMT2ATSHRFFAR1
SCHEMBL27415339 0.78 CYP2C19 (0.47) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL20534750 0.78 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19

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-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-21 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 (4 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 ALDH1A1 808/4885MEN1 4338/4885LMNA 694/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 ALDH1A1 1067/4885MEN1 4119/4885LMNA 570/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 ALDH1A1 1067/4885MEN1 4119/4885LMNA 570/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX ALDH1A1 808/4885MEN1 4338/4885LMNA 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.