SCHEMBL5283296

SCHEMBL5283296

O=C(c1ccc2cc[nH]c2c1)N1CCN(CCc2ccc(Cl)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.59
GHSR Q92847 7/20 0.52
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.41
THRB P10828 1/20 0.41
OXTR P30559 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.40
ENPP2 Q13822 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6096172 0.93 MAPK14 (0.60) MAPK14GHSRDRD2DRD3OXTR
SCHEMBL5274240 0.85 MAPK14 (0.59) MAPK14GHSRDRD2DRD3ALDH1A1
SCHEMBL5279687 0.82 MAPK14 (0.60) MAPK14GHSRDRD2DRD3ALDH1A1
SCHEMBL6095301 0.79 MAPK14 (0.79) MAPK14GHSRDRD2DRD3ALDH1A1
SCHEMBL6096974 0.79 GHSR (0.57) MAPK14GHSRALDH1A1HSD17B10MAPT
SCHEMBL5273574 0.78 MAPK14 (0.41) MAPK14DRD2DRD3THRB
SCHEMBL5276417 0.78 MAPK14 (0.61) MAPK14DRD2DRD3MAPTTHRB
SCHEMBL6094722 0.78 MAPK14 (0.60) MAPK14GHSRDRD2DRD3
Hydrochloric Acid SCHEMBL27574061 0.78 GHSR (0.56) MAPK14GHSRALDH1A1HSD17B10MAPT
SCHEMBL6097445 0.78 MAPK14 (0.60) MAPK14GHSRDRD2DRD3ALDH1A1

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-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
EP-1448201-B1 N-(INDOLCARBONYL-)PIPERAZINE DERIVATIVES FOR THE TREATMENT OF OBESITY MERCK PATENT GMBH (DE) 2007-11-28 EP disclosed
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US disclosed
US-20060040951-A1 Use of 5-ht2 receptor antagonists for the treatment of sleep disorders MERCK PATENT GMBH (DE) 2006-02-23 US disclosed
EP-1545531-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GmbH (DE) 2005-06-29 EP disclosed
US-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-20 US disclosed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US disclosed
EP-1198453-B9 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-10 EP disclosed
WO-2004032932-A1 USE OF 5-HT2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SLEEP DISORDERS MERCK PATENT GMBH (DE) 2004-04-22 WO disclosed
EP-1198453-B1 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-09 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 (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-20050014766-A1 Use of n-(indolecarbonyl-)piperazine derivatives GPR119, CHRM1, HTR1A MAPK14 4344/4885GHSR 279/4885DRD2 17/4885

“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.