SCHEMBL5042778

SCHEMBL5042778

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.63
KCNH2 Q12809 3/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 1/20 0.53
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
EGFR P00533 1/20 0.42
BCHE P06276 1/20 0.41
TRPV3 Q8NET8 2/20 0.38
ADRB2 P07550 1/20 0.37
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL6468962 0.87 TMEM97 (0.48) TMEM97KCNH2MEN1KMT2AEGFR
SCHEMBL6471113 0.86 TMEM97 (0.44) TMEM97KCNH2MEN1KMT2ABCHE
SCHEMBL5131617 0.84 BCHE (0.58) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL14731813 0.84 TMEM97 (0.86) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL6469030 0.83 KCNH2 (0.56) TMEM97KCNH2MEN1KMT2ABCHE
SCHEMBL5042774 0.82 TMEM97 (0.57) TMEM97KCNH2MEN1KMT2AALDH1A1
SCHEMBL6470737 0.82 EGFR (0.43) TMEM97KCNH2MEN1KMT2AEGFR
SCHEMBL5037248 0.82 MEN1 (0.40) TMEM97KCNH2MEN1KMT2ABCHE
SCHEMBL6468992 0.81 MEN1 (0.58) MEN1KMT2AALDH1A1BCHEADRB2
SCHEMBL5043043 0.80 TMEM97 (0.63) TMEM97KCNH2MEN1KMT2AALDH1A1

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 2412/4885MEN1 978/4885

“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.