SCHEMBL6701356

SCHEMBL6701356

CC(C)c1ccc(NCC(C)(C)N)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NUDT1 P36639 2/20 0.37
DEGS1 O15121 1/20 0.35
PRKCH P24723 3/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ROCK2 O75116 2/20 0.35
PRKCQ Q04759 2/20 0.35
ROCK1 Q13464 2/20 0.35
PKN1 Q16512 2/20 0.35
PKN2 Q16513 2/20 0.35
LATS1 O95835 2/20 0.35
LATS2 Q9NRM7 1/20 0.35
IL1B P01584 1/20 0.34

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
SCHEMBL19122592 0.88 NUDT1 (0.44) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL6700003 0.78 MAPT (0.44) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL12332403 0.78 HCAR3 (0.50) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL18745774 0.77 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL1435912 0.77 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL6700607 0.77 PTK2 (0.45) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL12212102 0.77 NUDT1 (0.39) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17658883 0.76 HCAR3 (0.57) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL18266146 0.75 PDE2A (0.39) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL3827086 0.74 RAB9A (0.51) ALDH1A1NPC1RAB9AMAPTMEN1

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 925/4885NPC1 700/4885RAB9A 2032/4885

“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.