SCHEMBL5479064

SCHEMBL5479064

[CH2]Cc1ccc2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ PDE10A Q9Y233 3/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ NPBWR1 P48145 3/20 0.36
▸ MCHR1 Q99705 3/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CCNE2 O96020 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ DGAT1 O75907 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
SCHEMBL14018671 0.83 BACE1 (0.57) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL5466721 0.83 BACE1 (0.57) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL6195698 0.83 BACE1 (0.57) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL6754978 0.83 BACE1 (0.57) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL5473781 0.80 BACE1 (0.54) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL6754992 0.79 BACE1 (0.53) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL14597728 0.79 BACE1 (0.53) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL5470951 0.78 BACE1 (0.51) BACE1HRH3KDM4EMCHR1
SCHEMBL16289537 0.77 BACE1 (0.62) BACE1HRH3KDM4EEPHX2SCN4A
SCHEMBL6753014 0.76 BACE1 (0.50) BACE1HRH3KDM4EEPHX2SCN4A

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 1 patent. 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

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 3640/4885KDM4E 2471/4885

“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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