SCHEMBL2263647

SCHEMBL2263647

CN1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.83
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
HTR1A P08908 1/20 0.60
ALOX15 P16050 1/20 0.60
HTR6 P50406 1/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL428829 0.91 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
Fumaric Acid SCHEMBL7867985 0.80 SLC6A4 (0.55) SLC6A4KDM4ELMNAPOLBHTR1A
Maleic Acid SCHEMBL7867976 0.80 SLC6A4 (0.55) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL12286535 0.80 SLC6A4 (0.55) SLC6A4LMNAPOLBHTR6
Fumaric Acid SCHEMBL7867982 0.80 SLC6A4 (0.55) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4671416 0.79 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4670751 0.79 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL14362326 0.79 SLC6A4 (0.53) SLC6A4HTR6
SCHEMBL7865112 0.79 SLC6A4 (0.81) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL12285207 0.79 SLC6A4 (0.67) SLC6A4KDM4ELMNAPOLBHTR1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 US disclosed
EP-2010527-B1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2013-08-14 EP disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-7696229-B2 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 US disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 WO disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 WO disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 WO disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP 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-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B SLC6A4 21/4885KDM4E 2197/4885LMNA 2331/4885
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 SLC6A4 3116/4885KDM4E 4727/4885LMNA 1393/4885
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 SLC6A4 336/4885KDM4E 2482/4885LMNA 2469/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 SLC6A4 3116/4885KDM4E 4727/4885LMNA 1393/4885

“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.