SCHEMBL3209676

SCHEMBL3209676

CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(/C=C/N3CCCC3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
ERN1 O75460 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.47
BLM P54132 1/20 0.47
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HSP90AA1 P07900 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
MAPT P10636 1/20 0.44
GRM5 P41594 1/20 0.43
HRH4 Q9H3N8 2/20 0.43

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
SCHEMBL3209679 1.00 L3MBTL1 (0.50) L3MBTL1ERN1ALDH1A1KDM4EHPGD
SCHEMBL546758 0.80 L3MBTL1 (0.62) L3MBTL1ERN1ALDH1A1KDM4EHPGD
SCHEMBL8529537 0.80 MEN1 (0.49) L3MBTL1ERN1ALDH1A1KDM4EHPGD
SCHEMBL8529541 0.80 MEN1 (0.49) L3MBTL1ERN1ALDH1A1KDM4EHPGD
SCHEMBL2946066 0.78 ALDH1A1 (0.74) L3MBTL1ERN1ALDH1A1KDM4EHPGD
SCHEMBL30309467 0.77 L3MBTL1 (0.58) L3MBTL1ERN1ALDH1A1KDM4EHPGD
SCHEMBL16982337 0.77 MEN1 (0.68) L3MBTL1ERN1ALDH1A1KDM4EHPGD
SCHEMBL3202804 0.75 HRH4 (0.48) L3MBTL1ERN1ALDH1A1HPGDPOLB
SCHEMBL3202812 0.75 HRH4 (0.48) L3MBTL1ERN1ALDH1A1HPGDPOLB
SCHEMBL405824 0.75 TSHR (0.49) L3MBTL1ALDH1A1KDM4EHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100041673-A1 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR5A, HTR2C L3MBTL1 3131/4885ERN1 4300/4885ALDH1A1 1692/4885

“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.