SCHEMBL1436727

SCHEMBL1436727

Cc1oc(-c2ccccc2)nc1CN(CC(=O)N1CCC[C@H]1C#N)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
PREP P48147 10/20 0.45
DPP4 P27487 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4594527 1.00 HRH3 (0.46) HRH3PREPDPP4KDM4EMEN1
SCHEMBL6327411 0.99 HRH3 (0.45) HRH3PREPDPP4KDM4EMEN1
SCHEMBL4594300 0.99 HRH3 (0.45) HRH3PREPDPP4KDM4EMEN1
SCHEMBL6828219 0.98 PREP (0.47) HRH3PREPDPP4KDM4EMEN1
SCHEMBL4593328 0.98 PREP (0.47) HRH3PREPDPP4KDM4EMEN1
SCHEMBL4593878 0.88 GAA (0.49) MEN1NPC1KMT2A
SCHEMBL4593877 0.88 GAA (0.49) MEN1NPC1KMT2A
SCHEMBL4594324 0.86 ALDH1A1 (0.47) PREPKDM4EMEN1KMT2A
SCHEMBL4594321 0.86 ALDH1A1 (0.47) PREPKDM4EMEN1KMT2A
SCHEMBL4594391 0.85 PREP (0.40) PREPDPP4KDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US 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-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 HRH3 3108/4885PREP 173/4885DPP4 1/4885

“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.