SCHEMBL5458022

SCHEMBL5458022

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
SLC6A9 P48067 2/20 0.41
OPRD1 P41143 2/20 0.41
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RIPK1 Q13546 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL5459762 0.85 ACHE (0.39) ACHESLC6A9CYP3A4ALDH1A1LMNA
SCHEMBL9363589 0.76 CYP3A4 (0.44) CYP3A4ALDH1A1LMNACYP2D6CYP2C9
SCHEMBL14444080 0.74 CCRL2 (0.35)
SCHEMBL1789777 0.74 ALDH1A1 (0.55) SLC6A9ALDH1A1LMNAKMT2AMEN1
SCHEMBL1789779 0.74 ALDH1A1 (0.55) SLC6A9ALDH1A1LMNAKMT2AMEN1
SCHEMBL5778156 0.73 ACHE (0.39) ACHESLC6A9OPRD1LMNAKMT2A
SCHEMBL1661498 0.71 CACNA2D1 (0.51) SLC6A9OPRD1KMT2ACACNA2D1CACNA1B
SCHEMBL4677322 0.71 ALDH1A1 (0.47) SLC6A9OPRD1CYP3A4ALDH1A1CYP2D6
SCHEMBL5466402 0.71 CYP3A4 (0.44) OPRD1CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL5777700 0.71 KMT2A (0.44) ACHESLC6A9ALDH1A1POLBKMT2A

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 423/4885SLC6A9 3735/4885OPRD1 1655/4885

“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.