SCHEMBL14597728

SCHEMBL14597728

N#CCc1ccc2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ DGAT1 O75907 2/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ PDE10A Q9Y233 4/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE7A Q13946 1/20 0.34

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
SCHEMBL16492037 0.84 MEN1 (0.38) BACE1MEN1MAPTKMT2AKCNH2
SCHEMBL29485681 0.84 MEN1 (0.38) BACE1MEN1MAPTKMT2AKCNH2
SCHEMBL6754978 0.79 BACE1 (0.57) BACE1HRH3KDM4EDGAT1KCNH2
SCHEMBL5479064 0.79 BACE1 (0.57) BACE1HRH3KDM4EDGAT1KCNH2
SCHEMBL6195698 0.79 BACE1 (0.57) BACE1HRH3KDM4EDGAT1KCNH2
SCHEMBL14018671 0.79 BACE1 (0.57) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL5466721 0.79 BACE1 (0.57) BACE1HRH3KDM4EDGAT1KCNH2
SCHEMBL5473781 0.76 BACE1 (0.54) BACE1HRH3KDM4EDGAT1KCNH2
SCHEMBL6754992 0.75 BACE1 (0.53) BACE1HRH3KDM4EKCNH2EPHX2
SCHEMBL5470951 0.74 BACE1 (0.51) BACE1HRH3MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 — — US disclosed
US-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 — — 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-20070004774-A1 Cept inhibitors and metabolites thereof CETP, LCAT, MTTP BACE1 1346/4885HRH3 3640/4885MEN1 4063/4885

“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.

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