SCHEMBL5131614

SCHEMBL5131614

CC(CCc1ccc(C(N)=O)nc1)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.53
OPRM1 P35372 2/20 0.53
OPRD1 P41143 1/20 0.53
BCHE P06276 1/20 0.52
DPP4 P27487 1/20 0.49
ATM Q13315 2/20 0.48
VNN1 O95497 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1D P25100 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL6469026 0.89 DPP4 (0.53) OPRK1OPRM1OPRD1BCHEDPP4
SCHEMBL6471110 0.89 DPP4 (0.53) OPRK1OPRM1OPRD1BCHEDPP4
SCHEMBL6468987 0.87 MEN1 (0.53) OPRK1OPRM1OPRD1BCHEATM
SCHEMBL6470305 0.87 ATM (0.47) OPRK1OPRM1OPRD1DPP4ATM
SCHEMBL6471055 0.87 MAOB (0.47) OPRK1OPRM1OPRD1DPP4KMT2A
SCHEMBL5042774 0.86 TMEM97 (0.57) OPRK1OPRM1OPRD1DPP4VNN1
SCHEMBL6469199 0.86 DPP4 (0.49) OPRK1OPRM1OPRD1DPP4ATM
SCHEMBL5133518 0.85 DPP4 (0.44) OPRK1OPRM1OPRD1DPP4VNN1
SCHEMBL6468961 0.84 VNN1 (0.53) OPRK1VNN1KMT2ASLC6A4ADRA1A
SCHEMBL5132091 0.84 DPP4 (0.43) OPRK1OPRM1OPRD1DPP4VNN1

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
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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO 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 OPRK1 1334/4885OPRM1 1245/4885OPRD1 1219/4885

“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.