SCHEMBL7185634

SCHEMBL7185634

N#CC1C=CCN1C(=O)C1CNCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.50
ROCK2 O75116 2/20 0.38
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
DPP4 P27487 3/20 0.35
RET P07949 1/20 0.34
MC4R P32245 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7179371 0.84 BACE1 (0.39) BACE1ROCK2DPP4MC4RKCNH2
SCHEMBL7183390 0.74 ALDH1A1 (0.44) MAPTDPP4
SCHEMBL1817856 0.70 BACE1 (0.59) BACE1ROCK2MAPTPKMMC4R
SCHEMBL2738528 0.70 BACE1 (0.59) BACE1ROCK2MAPTPKMMC4R
SCHEMBL1817862 0.70 BACE1 (0.59) BACE1ROCK2MAPTPKMMC4R
SCHEMBL1817859 0.70 BACE1 (0.59) BACE1ROCK2MAPTPKMMC4R
SCHEMBL7183413 0.68 DPP4 (0.43) ROCK2DPP4MC4R
SCHEMBL3734306 0.68 BACE1 (0.78) BACE1ROCK2MAPTPKMDPP4
SCHEMBL23951521 0.67 BACE1 (0.56) BACE1ROCK2MAPTPKMMC4R
SCHEMBL22072253 0.67 BACE1 (0.56) BACE1ROCK2MAPTPKMMC4R

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 BACE1 117/4885ROCK2 4217/4885MAPT 3816/4885
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 BACE1 72/4885ROCK2 4102/4885MAPT 3677/4885

“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.