SCHEMBL7183418

SCHEMBL7183418

N#C[C@@H]1C=CCN1C(=O)C1Cc2ccccc2CN1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.43
ROCK2 O75116 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PREP P48147 1/20 0.33
PRCP P42785 1/20 0.33
MC4R P32245 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
SCHEMBL7183413 1.00 DPP4 (0.43) DPP4ROCK2CYP3A4KMT2AMEN1
SCHEMBL7995561 0.76 DPP4 (0.70) DPP4FAPDPP8PREP
SCHEMBL7995565 0.76 DPP4 (0.70) DPP4FAPDPP8PREP
SCHEMBL5206466 0.74 FAP (0.56) DPP4FAPDPP8PREP
Hydrochloric Acid SCHEMBL5206549 0.73 FAP (0.55) DPP4FAPDPP8PREP
SCHEMBL6175339 0.71 DPP4 (0.57) DPP4FAPDPP8OPRM1OPRD1
SCHEMBL6175345 0.71 DPP4 (0.57) DPP4FAPDPP8OPRM1OPRD1
SCHEMBL7190130 0.70 DPP4 (0.52) DPP4FAPDPP8OPRM1OPRD1
SCHEMBL7190829 0.70 DPP4 (0.34) DPP4
SCHEMBL7190126 0.70 DPP4 (0.52) DPP4FAPDPP8OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645995-B2 Dipeptidyl peptidase-IV (DPP-IV); treating type II diabetes in a human; amino acid amides of 2-cyanopyrrolidine NOVO NORDISK A/S (DK) 2003-11-11 US disclosed
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS (DK) 2002-08-01 US disclosed
US-6380398-B2 COMPOUNDS SUCH AS (S,S)1-(2-AMINO-3,3-DIMETHYL-BUTYRYL)-2,5-DIHYDRO-1H-PYRROLE-2 -CARBONITRILE ADMINISTERED AS ANTIDIABETIC AGENTS; DIPEPTIDYL PEPTIDASE-IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-04-30 US disclosed
US-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2001-10-18 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 (2 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-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 DPP4 1/4885ROCK2 4217/4885CYP3A4 521/4885
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 DPP4 1/4885ROCK2 4102/4885CYP3A4 433/4885

“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.