SCHEMBL6702575

SCHEMBL6702575

CC(N)(CN)Cc1ccc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
MBOAT4 Q96T53 2/20 0.39
DAO P14920 1/20 0.39
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PTGS1 P23219 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
PDE2A O00408 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10115973 0.81 KMT2A (0.44) KMT2AMBOAT4DAOKDM1AMAOA
SCHEMBL6700009 0.78 NOS3 (0.39) DAORAB9A
SCHEMBL2550872 0.77 KMT2A (0.52) KMT2AMBOAT4DAOKDM1AMAOA
SCHEMBL29408885 0.77 KMT2A (0.52) KMT2AMBOAT4DAOKDM1AMAOA
SCHEMBL8257622 0.76 KMT2A (0.57) KMT2AMBOAT4DAOPTGS1NPC1
Hydrochloric Acid SCHEMBL23572864 0.75 KMT2A (0.50) KMT2AMBOAT4DAOKDM1AMAOA
Hydrochloric Acid SCHEMBL3902582 0.75 KMT2A (0.50) KMT2AMBOAT4DAOKDM1AMAOA
SCHEMBL19772153 0.74 KMT2A (0.39) KMT2AMBOAT4DAOKDM1AMAOA
SCHEMBL31477886 0.74 TAAR1 (0.52) KMT2AMBOAT4DAOKDM1AMAOA
SCHEMBL264652 0.74 TAAR1 (0.52) KMT2AMBOAT4DAOKDM1AMAOA

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 KMT2A 4164/4885MBOAT4 913/4885DAO 101/4885

“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.