SCHEMBL6370948

SCHEMBL6370948

CCc1cc(O)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.64
GRIK1 P39086 6/20 0.59
MAPT P10636 5/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
HTT P42858 4/20 0.59
RAB9A P51151 1/20 0.59
KDR P35968 1/20 0.57
IDH2 P48735 1/20 0.57
NTRK1 P04629 1/20 0.57
CDK19 Q9BWU1 1/20 0.57
BAZ1A Q9NRL2 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 1/20 0.54
XBP1 P17861 1/20 0.54
PAX8 Q06710 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL4280073 0.90 TRPV1 (0.64) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL3676521 0.85 TRPV1 (0.67) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL1463622 0.85 TRPV1 (0.70) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL1463509 0.82 GRIK1 (0.77) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL26697304 0.82 KDR (0.74) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL6371123 0.82 TRPV1 (0.67) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL1463407 0.82 NTRK1 (0.77) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL6376812 0.80 KMT2A (0.79) TRPV1GRIK1MAPTMEN1KMT2A
SCHEMBL5597699 0.80 KMT2A (0.90) GRIK1MAPTMEN1KMT2AHTT
SCHEMBL30101230 0.80 KMT2A (0.90) GRIK1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US claimed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO claimed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TRPV1 159/4885GRIK1 86/4885MAPT 1550/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TRPV1 159/4885GRIK1 86/4885MAPT 1550/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TRPV1 159/4885GRIK1 86/4885MAPT 1550/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 TRPV1 196/4885GRIK1 134/4885MAPT 1395/4885

“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.