SCHEMBL1286035

SCHEMBL1286035

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(C(F)(F)F)cc(N4CCN(CCO)CC4)c3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
ADRB2 P07550 3/20 0.39
TRPV1 Q8NER1 10/20 0.36
PPARG P37231 1/20 0.35
ADRA2A P08913 1/20 0.35
HTR2C P28335 1/20 0.35
AXL P30530 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1644109 0.92 ADRB2 (0.47) ADRB2TRPV1ADRA2AHTR2CAXL
SCHEMBL1285253 0.91 TRPV1 (0.40) ADRB2TRPV1ADRA2AHTR2CAXL
SCHEMBL1285686 0.91 TRPV1 (0.40) ADRB2TRPV1ADRA2AHTR2CAXL
SCHEMBL1285873 0.90 TRPV1 (0.40) ADRB2TRPV1ADRA2AHTR2CAXL
SCHEMBL1285259 0.89 TRPV1 (0.42) ADRB2TRPV1ADRA2AHTR2CAXL
SCHEMBL1285608 0.89 ADRB2 (0.49) ADRB2TRPV1PPARGADRA2AHTR2C
SCHEMBL1285193 0.89 TRPV1 (0.41) ADRB2TRPV1ADRA2AHTR2CAXL
SCHEMBL1285140 0.88 TRPV1 (0.40) ADRB2TRPV1ADRA2AHTR2CAXL
SCHEMBL1285470 0.88 ADRB2 (0.40) ADRB2TRPV1PPARGADRA2AHTR2C
SCHEMBL1285264 0.88 TRPV1 (0.43) ADRB2TRPV1ADRA2AHTR2CAXL

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 4 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 claimed
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
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
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

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 MAPK1 1154/4885DRD2 2806/4885DRD3 2994/4885

“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.