SCHEMBL3816625

SCHEMBL3816625

CCc1ccc(C(=O)Nc2ncc3c(C(=O)NCc4ccc(C(F)(F)F)nc4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
NTRK1 P04629 4/20 0.37
RORC P51449 1/20 0.37
GLS O94925 1/20 0.37
BCDIN3D Q7Z5W3 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ITK Q08881 2/20 0.36
CSF1R P07333 1/20 0.36
NAMPT P43490 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 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
SCHEMBL3822101 0.93 KMT2A (0.40) TRPV1NTRK1RORCGLSBCDIN3D
SCHEMBL3812466 0.88 DGAT2 (0.39) TRPV1NTRK1RORCGLSBCDIN3D
SCHEMBL3811826 0.88 KMT2A (0.39) TRPV1NTRK1RORCGLSBCDIN3D
SCHEMBL3817759 0.86 RET (0.41) TRPV1NTRK1
SCHEMBL4393164 0.86 KMT2A (0.49) TRPV1NAMPT
SCHEMBL3822989 0.84 HTT (0.41) TRPV1NTRK1NAMPT
SCHEMBL3812174 0.83 MAPT (0.41) TRPV1NTRK1
SCHEMBL3820599 0.82 KMT2A (0.39) TRPV1RORCGLSBCDIN3DKCNQ3
SCHEMBL3823225 0.82 RET (0.40) NTRK1
SCHEMBL3819845 0.81 NTRK1 (0.39) TRPV1NTRK1ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (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-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 TRPV1 4254/4885NTRK1 4221/4885RORC 1298/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A TRPV1 3550/4885NTRK1 2829/4885RORC 1938/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP TRPV1 4684/4885NTRK1 3782/4885RORC 1289/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP TRPV1 1370/4885NTRK1 3372/4885RORC 2431/4885

“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.