SCHEMBL3579181

SCHEMBL3579181

Cc1cc(-c2ccc(C(=O)C3CCN(c4ncccn4)CC3)cc2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 11/20 0.48
KDM4E B2RXH2 2/20 0.48
MALT1 Q9UDY8 2/20 0.48
SLC6A3 Q01959 2/20 0.48
GRM5 P41594 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3583699 0.85 KDM4E (0.65) SLC6A7KDM4ESLC6A3CYP2C19MEN1
SCHEMBL3812149 0.84 KDM4E (0.54) SLC6A7KDM4EMALT1SLC6A3CYP2C19
SCHEMBL1135093 0.84 SLC6A7 (0.68) SLC6A7KDM4EMALT1SLC6A3
SCHEMBL30674402 0.84 SLC6A7 (0.68) SLC6A7KDM4EMALT1SLC6A3
SCHEMBL3576083 0.84 HSD11B1 (0.54) SLC6A7KDM4EMALT1SLC6A3CYP2C19
SCHEMBL3576158 0.78 SLC6A7 (0.64) SLC6A7KDM4ESLC6A3
SCHEMBL3580383 0.77 SLC6A7 (0.68) SLC6A7KDM4ECYP2C19MEN1KMT2A
SCHEMBL3814544 0.77 KDM4E (0.52) SLC6A7KDM4EMALT1SLC6A3CYP2C19
SCHEMBL3585548 0.77 SLC6A7 (0.70) SLC6A7KDM4ECYP2C19MEN1KMT2A
SCHEMBL3574653 0.77 SLC6A7 (0.67) SLC6A7KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US claimed
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
EP-1893212-B1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2013-10-16 EP disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US 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
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE 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
US-20060258672-A1 Multicyclic compounds and methods of their use 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 (5 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT SLC6A7 1113/4885KDM4E 3142/4885MALT1 3084/4885
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 SLC6A7 1024/4885KDM4E 2349/4885MALT1 4362/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885KDM4E 1625/4885MALT1 3482/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885KDM4E 1641/4885MALT1 4476/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885KDM4E 3142/4885MALT1 3084/4885

“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.