SCHEMBL6701040

SCHEMBL6701040

CC(C)C(N)Nc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
MMP2 P08253 1/20 0.42
KCNH3 Q9ULD8 2/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.37
THRB P10828 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 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
SCHEMBL6702355 0.77 TDP1 (0.58) CA12KCNH3MEN1KMT2AL3MBTL1
SCHEMBL177221 0.77 KCNH3 (0.57) CA12MMP2KCNH3MEN1KMT2A
SCHEMBL6702637 0.75 SLC6A4 (0.46) CA12MEN1KMT2AMAPTMAOA
SCHEMBL6699435 0.74 MMP2 (0.49) CA12MMP2MEN1KMT2AMAPT
SCHEMBL6700263 0.72 TGM2 (0.41) CA12KDM4EMAPTALDH1A1LMNA
SCHEMBL6701324 0.71 ALDH1A1 (0.53) CA12MMP2KCNH3MEN1KMT2A
SCHEMBL1636005 0.68 MMP2 (0.53) CA12MMP2MEN1KMT2AMAPT
SCHEMBL1636007 0.68 MMP2 (0.53) CA12MMP2MEN1KMT2AMAPT
SCHEMBL9412175 0.68 CA12 (0.41) CA12MMP2KCNH3MEN1KMT2A
SCHEMBL7650055 0.68 KCNH3 (0.56) CA12MMP2KCNH3MEN1KMT2A

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 CA12 695/4885MMP2 17/4885KCNH3 1384/4885

“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.