SCHEMBL5037248

SCHEMBL5037248

CC(CCc1ccc(N)nc1)NCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 3/20 0.39
TMEM97 Q5BJF2 3/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPB2 Q96IY4 1/20 0.37
BCHE P06276 1/20 0.36
ACACB O00763 5/20 0.36
ACACA Q13085 4/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL5133519 0.82 CPB2 (0.40) MEN1KMT2AKCNH2HTTSMN1; SMN2
SCHEMBL5042778 0.82 TMEM97 (0.63) MEN1KMT2AKCNH2TMEM97BCHE
SCHEMBL5132093 0.81 ADRB2 (0.41) MEN1KMT2AHTTSMN1; SMN2CPB2
SCHEMBL5037246 0.81 DPP4 (0.43) MEN1KMT2AACACBACACAOPRK1
SCHEMBL6470796 0.80 HTT (0.43) MEN1KMT2AKCNH2HTTSMN1; SMN2
SCHEMBL5132972 0.80 HTT (0.43) MEN1KMT2AKCNH2HTTSMN1; SMN2
SCHEMBL6471113 0.80 TMEM97 (0.44) MEN1KMT2AKCNH2TMEM97BCHE
SCHEMBL6470834 0.79 CPB2 (0.42) CPB2ACACBACACAGABRPGABRD
SCHEMBL6470737 0.79 EGFR (0.43) MEN1KMT2AKCNH2TMEM97BCHE
SCHEMBL5044960 0.78 CPB2 (0.41) HTTSMN1; SMN2CPB2ACACBACACA

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 MEN1 978/4885KMT2A 2085/4885KCNH2 2412/4885

“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.