SCHEMBL5042774

SCHEMBL5042774

CC(CCc1ccc(C(N)=O)nc1)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.57
KCNH2 Q12809 3/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.48
VNN1 O95497 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
RIOX2 Q8IUF8 1/20 0.42
KDM8 Q8N371 1/20 0.42
DPP4 P27487 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6468961 0.89 VNN1 (0.53) TMEM97KCNH2KMT2AMEN1VNN1
SCHEMBL6471110 0.87 DPP4 (0.53) TMEM97KCNH2VNN1DPP4OPRM1
SCHEMBL5131614 0.86 OPRK1 (0.53) KMT2AALDH1A1VNN1KDM4EDPP4
SCHEMBL6469026 0.85 DPP4 (0.53) TMEM97KCNH2VNN1DPP4OPRM1
SCHEMBL6470735 0.84 VNN1 (0.43) KMT2AVNN1DPP4OPRM1OPRD1
SCHEMBL5037246 0.84 DPP4 (0.43) KMT2AMEN1ALDH1A1VNN1KDM4E
SCHEMBL6468987 0.83 MEN1 (0.53) KMT2AMEN1ALDH1A1VNN1KDM4E
SCHEMBL5042778 0.82 TMEM97 (0.63) TMEM97KCNH2KMT2AMEN1ALDH1A1
SCHEMBL5133518 0.81 DPP4 (0.44) KMT2AMEN1ALDH1A1VNN1KDM4E
SCHEMBL6471055 0.81 MAOB (0.47) KMT2AMEN1DPP4OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US 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 TMEM97 2417/4885KCNH2 2412/4885KMT2A 2085/4885

“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.