SCHEMBL6703014

SCHEMBL6703014

Cc1cnc(CC(C)(N)CN)s1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
SLC6A3 Q01959 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.33
RAB9A P51151 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL19386710 0.82 NOS1 (0.45) NOS1SLC6A3SMYD3TRPM5RAB9A
SCHEMBL17828356 0.82 NOS1 (0.43) NOS1SLC6A3TRPM5RAB9A
SCHEMBL6702093 0.76 SLC6A3 (0.33) NOS1SLC6A3SMYD3RAB9ALOXL2
SCHEMBL1366842 0.76
SCHEMBL24027177 0.76 NOS1 (0.38) NOS1SLC6A3TRPM5RAB9A
SCHEMBL24297619 0.74 NOS1 (0.36) NOS1SLC6A3TRPM5RAB9A
SCHEMBL6232900 0.72
Hydrochloric Acid SCHEMBL6236907 0.71 NOS1 (0.45) NOS1SLC6A3SMYD3TRPM5LOXL2
SCHEMBL13142433 0.71 NOS1 (0.48) NOS1SLC6A3SMYD3TRPM5RAB9A
SCHEMBL14298745 0.69 NOS1 (0.35) NOS1SLC6A3TRPM5RAB9A

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 NOS1 3801/4885SLC6A3 109/4885SMYD3 4198/4885

“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.