SCHEMBL5573676

SCHEMBL5573676

CCCCCC1CCCC1N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.45
SPHK1 Q9NYA1 7/20 0.38
SPHK2 Q9NRA0 4/20 0.38
EPHX1 P07099 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 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
SCHEMBL24679533 1.00 DPP4 (0.45) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL2857968 0.96 DPP4 (0.49) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL2447602 0.94 DPP4 (0.47) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL5562923 0.94 DPP4 (0.51) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL2869525 0.94 DPP4 (0.47) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL2448263 0.94 DPP4 (0.47) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL2453079 0.94 DPP4 (0.47) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL2863702 0.94 DPP4 (0.47) DPP4SPHK1SPHK2EPHX1CYP1A2
SCHEMBL17662709 0.93 DPP4 (0.50) DPP4CYP1A2NOS1NOS2CA1
SCHEMBL2449974 0.89 DPP4 (0.54) DPP4CYP1A2NOS1NOS2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO claimed
US-7186735-B2 Acylated arylcycloalkylamines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-06 US disclosed
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed
EP-1529031-A1 ACYLATED ARYLCYCLOALKYLAMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
US-20040082628-A1 Acylated arylcycloalkylamines and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-04-29 US disclosed
WO-2004014842-A1 ACYLATED ARYLCYCLOALKYLAMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388535-A1 Acylated arylcycloalkylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 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-20040082628-A1 Acylated arylcycloalkylamines and their use as pharmaceuticals LIPG, AADAC, NAT1 DPP4 1386/4885SPHK1 723/4885SPHK2 535/4885

“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.