SCHEMBL20657404

SCHEMBL20657404

CC(=Nc1cccc(OC(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NOS1 P29475 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR1 P34998 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CETP P11597 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
SCHEMBL20657403 1.00 MPI (0.44) MPIHTR3EHTR3BHTR3AHTR3D
SCHEMBL20657397 0.85 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19148200 0.85 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19148232 0.81 MPI (0.42) MPIHTR3EHTR3BHTR3AHTR3D
SCHEMBL20657440 0.81 MPI (0.42) MPIHTR3EHTR3BHTR3AHTR3D
SCHEMBL20657461 0.80 NOS3 (0.54) NOS1ALDH1A1GAAMAPTALOX15
SCHEMBL19148979 0.80 NOS3 (0.54) NOS1ALDH1A1GAAMAPTALOX15
SCHEMBL19148574 0.76 CRHR1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20657423 0.76 CRHR1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25455827 0.76 MPI (0.41) MPIHTR3EHTR3BHTR3AHTR3D

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-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 MPI 1968/4885HTR3E 1006/4885HTR3B 571/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 MPI 1968/4885HTR3E 1006/4885HTR3B 571/4885

“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.