SCHEMBL1284871

SCHEMBL1284871

CC1(C(=O)O)C=Cc2ccc(Cl)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.36
PDE7A Q13946 2/20 0.35
TGM2 P21980 2/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
HTR2C P28335 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CES2 O00748 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29117338 0.77 HTR2C (0.38) CES1PDE7AHTR2CKMT2AMEN1
SCHEMBL27557599 0.72 CES2 (0.40) CES1KMT2AMEN1TP53CES2
SCHEMBL21433683 0.64
SCHEMBL9306599 0.64 PGR (0.38) CES1PDE7ATGM2HTR2CAHR
SCHEMBL11883348 0.63 ALDH1A1 (0.41) ALDH1A1TP53TSHRCASP1SMN1; SMN2
Lithium Ion SCHEMBL984533 0.62 MAPT (0.38) TGM2IDO1ALDH1A1SMN1; SMN2
SCHEMBL24219873 0.61 AHR (0.42) TGM2IDO1TDO2HTR2CCMA1
SCHEMBL30748111 0.60 HTR2C (0.38) HTR2CALDH1A1TSHRSMN1; SMN2
SCHEMBL8629003 0.60 NPC1 (0.49) IDO1ALDH1A1TP53SMN1; SMN2
SCHEMBL16598094 0.59 MAPT (0.64) CES1HTR2CCMA1AHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 CES1 2424/4885PDE7A 916/4885TGM2 2731/4885

“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.