SCHEMBL21632016

SCHEMBL21632016

CC(CN)(C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
CES2 O00748 1/20 0.46
PNMT P11086 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SRD5A2 P31213 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
PTGFR P43088 3/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL21656355 0.81 KDM4E (0.46) CES2MEN1MAPTKMT2AALDH1A1
SCHEMBL23453194 0.81 TAAR1 (0.54) KIF11TAAR1MAPTKMT2AALDH1A1
SCHEMBL1450491 0.81 TAAR1 (0.54) KIF11TAAR1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL114615 0.79 TAAR1 (0.52) KIF11TAAR1MAPTKMT2AALDH1A1
SCHEMBL717446 0.78 CYP1A2 (0.59) CES2MEN1MAPTKMT2ASRD5A2
SCHEMBL382497 0.78 CYP1A2 (0.59) CES2MEN1MAPTKMT2ASRD5A2
SCHEMBL715409 0.78 CYP1A2 (0.59) CES2MEN1MAPTKMT2ASRD5A2
SCHEMBL30605754 0.78 CYP1A2 (0.59) CES2MEN1MAPTKMT2ASRD5A2
SCHEMBL1626915 0.78 APP (0.55) CES2MEN1MAPTKMT2ASRD5A2
Hydrochloric Acid SCHEMBL4499764 0.77 ALDH1A1 (0.43) KIF11CES2PNMTTAAR1MEN1

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 KIF11 4880/4885CES2 133/4885PNMT 209/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX KIF11 4880/4885CES2 133/4885PNMT 209/4885

“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.