SCHEMBL3936754

SCHEMBL3936754

CNC(=O)c1ccc(C#Cc2ccc(OC(F)(F)F)c(C(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ALPL P05186 3/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
ACACB O00763 1/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.39
GRM5 P41594 1/20 0.39
HNF4A P41235 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
RARA P10276 1/20 0.39
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38
FFAR1 O14842 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 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
SCHEMBL13958219 0.89 SLC6A2 (0.42) SLC6A2SLC6A4ALPLACACBGRM5
SCHEMBL3943599 0.89 SLC6A2 (0.44) SLC6A2SLC6A4ALPLACACBKCNK3
SCHEMBL3952233 0.76 SLC6A2 (0.38) SLC6A2SLC6A4RARBRARGACACB
SCHEMBL3935869 0.74 ADRA2B (0.41) HNF4AKCNK3KCNK9FFAR1HPGD
SCHEMBL16198925 0.73 HDAC2 (0.61) RARBRARGACACBGRM5HPGD
SCHEMBL30147439 0.72 EPHX2 (0.55) SLC6A2SLC6A4ALPLHPGDTSHR
SCHEMBL31080317 0.71 ALPL (0.51) SLC6A2SLC6A4ALPLKCNK3KCNK9
SCHEMBL12945163 0.71 ALPL (0.51) SLC6A2SLC6A4ALPLKCNK3KCNK9
SCHEMBL1505292 0.70 CSNK2A1 (0.50) KCNK3KCNK9HPGDMRGPRX4
SCHEMBL30727809 0.70 HDAC6 (0.48) RARBRARGACACBGRM5HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT SLC6A2 483/4885SLC6A4 334/4885ALPL 3878/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 SLC6A2 2611/4885SLC6A4 3935/4885ALPL 2739/4885

“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.