SCHEMBL21632100

SCHEMBL21632100

N#CC(CCC(=O)O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR1 P32246 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2D6 P10635 1/20 0.38
CPA3 P15088 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL21632089 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL21656110 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL31331854 0.79 KMT2A (0.49) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL9149178 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL26450125 0.78 FFAR1 (0.43) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL27792007 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL20534655 0.76 ALDH1A1 (0.49) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL27779093 0.76 CCR1 (0.48) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL21708690 0.76 SMN1; SMN2 (0.47) SMN1; SMN2MEN1GAAKMT2ACCR1
SCHEMBL10633003 0.75 SMN1; SMN2 (0.49) SMN1; SMN2MEN1GAAKMT2ACCR1

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 SMN1; SMN2 1799/4885MEN1 4338/4885GAA 672/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX SMN1; SMN2 1799/4885MEN1 4338/4885GAA 672/4885

“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.