SCHEMBL3822155

SCHEMBL3822155

CCCc1ccc(C(=O)Nc2ncc3c(C(=O)NCCOCC)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.43
TRPV1 Q8NER1 3/20 0.36
NTRK1 P04629 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NAMPT P43490 1/20 0.35
BTK Q06187 1/20 0.35
HDAC3 O15379 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
BCHE P06276 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL3812795 0.93 NPC1 (0.38) RETNTRK1ALDH1A1KDM4EHPGD
SCHEMBL3818673 0.91 NPC1 (0.41) ALDH1A1KDM4EHPGDNAMPTHDAC3
SCHEMBL4880213 0.88 RET (0.38) RETNTRK1ALDH1A1KDM4EHPGD
SCHEMBL4389693 0.88 MCHR1 (0.36) NTRK1ALDH1A1KDM4EHPGDNAMPT
SCHEMBL3820094 0.87 KMT2A (0.39) RETNTRK1NAMPTSENP8SENP7
SCHEMBL3823225 0.86 RET (0.40) RETNTRK1ALDH1A1HPGD
SCHEMBL3819679 0.86 NPC1 (0.39) RETNTRK1ALDH1A1KDM4EHPGD
SCHEMBL3820439 0.85 RET (0.47) RETTRPV1NTRK1SENP8SENP7
SCHEMBL3822989 0.85 HTT (0.41) RETTRPV1NTRK1ALDH1A1KDM4E
SCHEMBL3820791 0.85 KCNQ3 (0.38) RETNTRK1NAMPT

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-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
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 RET 4670/4885TRPV1 4254/4885NTRK1 4221/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RET 4669/4885TRPV1 3550/4885NTRK1 2829/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RET 4484/4885TRPV1 4684/4885NTRK1 3782/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RET 1981/4885TRPV1 1370/4885NTRK1 3372/4885

“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.