SCHEMBL5459762

SCHEMBL5459762

N#CCC(NC(=O)C(F)(F)F)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
KMT2A Q03164 1/20 0.37
SLC6A9 P48067 2/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNA1B Q00975 2/20 0.36
CACNB1 Q02641 2/20 0.36
CACNA1C Q13936 2/20 0.36
LMNA P02545 1/20 0.36
CACNA1A O00555 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL5458022 0.85 ACHE (0.41) ACHEKMT2ASLC6A9CACNA2D1CACNA1B
SCHEMBL5778156 0.77 ACHE (0.39) ACHEKMT2ASLC6A9CACNA2D1CACNA1B
SCHEMBL5450739 0.71 OPRD1 (0.39) KMT2ASLC6A9LMNAL3MBTL1CYP3A4
SCHEMBL14432146 0.71 ALDH1A1 (0.31) KMT2AALDH1A1
SCHEMBL4677322 0.68 ALDH1A1 (0.47) KMT2ASLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL5777700 0.68 KMT2A (0.44) ACHEKMT2ASLC6A9MAPTL3MBTL1
SCHEMBL5466820 0.68 ACHE (0.42) ACHEMAPTL3MBTL1CYP3A4CYP2D6
SCHEMBL28945522 0.66 SLC6A9 (0.46) KMT2ASLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL11447402 0.66 TSHR (0.44) KMT2ACYP2D6ALDH1A1
SCHEMBL15716423 0.66 PDE2A (0.42) LMNAALDH1A1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL ACHE 423/4885KMT2A 4819/4885SLC6A9 3735/4885

“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.