SCHEMBL3587708

SCHEMBL3587708

O=CC(c1ccc(-c2cccc(C(F)(F)F)c2)nc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.48
OGA O60502 7/20 0.43
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
APP P05067 1/20 0.41
IDH1 O75874 1/20 0.41
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CNR2 P34972 1/20 0.39
KMO O15229 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL3578246 0.75 SLC6A7 (0.77) SLC6A7APPKDM4EUSP2TSHR
SCHEMBL3587712 0.72 SLC6A7 (0.58) SLC6A7KDM1AMAOBAPPCA2
SCHEMBL3587702 0.72 SLC6A7 (0.58) SLC6A7APPCA2CA9KDM4E
SCHEMBL2609351 0.70 KDM1A (0.53) KDM1AMAOBIDH1KMOKDM4E
SCHEMBL16044605 0.68 KDM1A (0.54) KDM1AMAOBIDH1KMOKDM4E
SCHEMBL4592102 0.67 ALDH1A1 (0.58) KDM1AMAOBKMOMAOA
SCHEMBL3574646 0.67 SLC6A7 (0.58) SLC6A7KDM1AMAOBKDM4EHSD17B10
SCHEMBL1416558 0.66 KDM1A (0.61) KDM1AMAOBKMOKDM4EHSD17B10
SCHEMBL3578242 0.65 SLC6A7 (1.00) SLC6A7KDM4ETSHR
SCHEMBL5230452 0.65 SLC6A7 (0.49) SLC6A7KDM1AMAOBKMOKDM4E

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-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
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (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 1113/4885OGA 1255/4885KDM1A 3963/4885
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 1024/4885OGA 1600/4885KDM1A 661/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885OGA 1974/4885KDM1A 813/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885OGA 2597/4885KDM1A 727/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885OGA 1255/4885KDM1A 3963/4885

“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.