SCHEMBL5132091

SCHEMBL5132091

CC(C)CNC(C)CCc1ccc(C(N)=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.43
ADRB2 P07550 5/20 0.41
ADRB1 P08588 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
CYP2D6 P10635 2/20 0.41
ADRA2A P08913 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
OPRM1 P35372 2/20 0.41
CYP1A2 P05177 2/20 0.41
NFKB1 P19838 2/20 0.41
THPO P40225 2/20 0.41
HIF1A Q16665 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL5132970 0.88 DPP4 (0.43) DPP4ADRB2ADRB1KDM4EALDH1A1
SCHEMBL5133518 0.88 DPP4 (0.44) DPP4ADRB2ADRB1KDM4EALDH1A1
SCHEMBL6470792 0.86 KDM4E (0.45) DPP4ADRB2ADRB1KDM4EALDH1A1
SCHEMBL6470831 0.85 VNN1 (0.42) DPP4KDM4EALDH1A1LMNAOPRM1
SCHEMBL5044954 0.84 VNN1 (0.41) DPP4KDM4EALDH1A1LMNAOPRM1
SCHEMBL5132144 0.84 CYP1A2 (0.49) DPP4ADRB2ADRB1KDM4EALDH1A1
SCHEMBL5131614 0.84 OPRK1 (0.53) DPP4ADRB2ADRB1KDM4EALDH1A1
SCHEMBL5037246 0.84 DPP4 (0.43) DPP4KDM4EALDH1A1LMNAOPRM1
SCHEMBL6471110 0.83 DPP4 (0.53) DPP4OPRM1VNN1OPRD1OPRK1
SCHEMBL6469026 0.83 DPP4 (0.53) DPP4OPRM1CYP2C19VNN1OPRD1

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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA DPP4 3527/4885ADRB2 1020/4885ADRB1 479/4885

“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.