SCHEMBL6701445

SCHEMBL6701445

CC(N)(CN)Cc1nccs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C19 P33261 1/20 0.36
FDPS P14324 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
SLC6A3 Q01959 3/20 0.33
FBP1 P09467 2/20 0.32
CYP2D6 P10635 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALOX15 P16050 1/20 0.30
PDK1 Q15118 1/20 0.30
HTR7 P34969 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL777769 0.79 FDPS (0.40) ALDH1A1TSHRNOS1HSD17B10CYP2C19
SCHEMBL2093647 0.76 FDPS (0.42) ALDH1A1TSHRNOS1HSD17B10CYP2C19
SCHEMBL2093644 0.76 FDPS (0.42) ALDH1A1TSHRNOS1HSD17B10CYP2C19
SCHEMBL6703240 0.75 CYP2C19 (0.37) CYP2C19FDPSSLC6A3CHRM2CHRM1
SCHEMBL21025343 0.74 FDPS (0.37) ALDH1A1TSHRNOS1HSD17B10CYP2C19
SCHEMBL13543933 0.74 FDPS (0.37) ALDH1A1TSHRNOS1HSD17B10CYP2C19
SCHEMBL29470115 0.74 FDPS (0.41) ALDH1A1TSHRNOS1HSD17B10CYP2C19
SCHEMBL69929 0.72
SCHEMBL13548386 0.71 CYP2C19 (0.44) ALDH1A1TSHRNOS1HSD17B10CYP2C19
SCHEMBL1725884 0.71 FDPS (0.40) ALDH1A1TSHRNOS1HSD17B10CYP2C19

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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 (1 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 ALDH1A1 925/4885TSHR 2126/4885NOS1 3801/4885

“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.