SCHEMBL3039407

SCHEMBL3039407

CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.64
DRD2 P14416 1/20 0.61
DRD3 P35462 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
GPR183 P32249 1/20 0.59
HRH4 Q9H3N8 2/20 0.59
MAP3K11 Q16584 1/20 0.58
GHSR Q92847 2/20 0.56
FASN P49327 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDR P35968 1/20 0.55
MGLL Q99685 1/20 0.55
NUDT15 Q9NV35 1/20 0.53

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
SCHEMBL16002856 0.90 GHSR (0.69) MAPK14DRD2DRD3HPGDTSHR
SCHEMBL22216445 0.87 MAPK14 (0.64) MAPK14DRD2DRD3GPR183GHSR
SCHEMBL30226931 0.87 MAPK14 (0.64) MAPK14DRD2DRD3HPGDGPR183
SCHEMBL30329646 0.87 MAPK14 (0.64) MAPK14DRD2DRD3GPR183GHSR
SCHEMBL8534513 0.87 MAPK14 (0.64) MAPK14DRD2DRD3HPGDGPR183
SCHEMBL2214616 0.85 MAPK14 (0.63) MAPK14DRD2DRD3HPGDGPR183
SCHEMBL29944365 0.85 MAPK14 (0.63) MAPK14DRD2DRD3HPGDGPR183
SCHEMBL3457123 0.85 MAPK14 (0.63) MAPK14DRD2DRD3HPGDGPR183
SCHEMBL2219560 0.85 MAPK14 (0.60) MAPK14DRD2DRD3GPR183GHSR
SCHEMBL3385466 0.85 MAPK14 (0.60) MAPK14DRD2DRD3HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328125-B2 Bivalent AMPA receptor positive allosteric modulators THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-03 US disclosed
US-9328125-B2 Bivalent AMPA receptor positive allosteric modulators THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-03 US disclosed
US-20150057248-A1 BIVALENT AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-26 US disclosed
US-20150057248-A1 BIVALENT AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-26 US disclosed
WO-2013130501-A1 BIVALENT AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-09-06 WO disclosed
US-8470830-B2 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LIMITED (IN) 2013-06-25 US disclosed
CN-101553467-B 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD. (IN) 2011-12-07 CN disclosed
EP-2114878-B1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2010-12-15 EP disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20100041673-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-02-18 US disclosed
EP-2114878-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2009-11-11 EP disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
CN-101553467-A 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands SUVEN LIFE SCIENCES LTD (IN) 2009-10-07 CN disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
WO-2008084492-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2008-07-17 WO disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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 (3 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 MAPK14 1841/4885DRD2 311/4885DRD3 170/4885
US-20100041673-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR5A, HTR2C MAPK14 2038/4885DRD2 85/4885DRD3 214/4885
US-20150057248-A1 BIVALENT AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATORS GRIK2, GABRE, GRIK4 MAPK14 3269/4885DRD2 861/4885DRD3 1073/4885

“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.