SCHEMBL6095064

SCHEMBL6095064

O=C(c1ccc2cc[nH]c2c1)N1CCN(c2cc(Cl)sc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.57
MAPK14 Q16539 3/20 0.56
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
ENPP2 Q13822 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
OXTR P30559 1/20 0.44
MGLL Q99685 1/20 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
Hydrochloric Acid SCHEMBL27574062 0.99 GHSR (0.56) GHSRMAPK14MAPTGAARECQL
SCHEMBL6098930 0.92 MAPK14 (0.56) GHSRMAPK14MAPTGAARECQL
SCHEMBL6096974 0.84 GHSR (0.57) GHSRMAPK14MAPTGAARECQL
Hydrochloric Acid SCHEMBL27574061 0.83 GHSR (0.56) GHSRMAPK14MAPTGAARECQL
SCHEMBL5274240 0.81 MAPK14 (0.59) GHSRMAPK14MAPTKDM4EALDH1A1
SCHEMBL5925665 0.81 GHSR (0.51) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL20765815 0.78 GHSR (0.65) GHSRMAPK14MAPTGAARECQL
SCHEMBL6098281 0.77 GAA (0.44) MAPTGAARECQLALDH1A1SMN1; SMN2
SCHEMBL6096552 0.77 GAA (0.57) MAPK14MAPTGAARECQLMGLL
SCHEMBL17443852 0.77 GHSR (0.75) GHSRMAPK14MAPTKDM4EALDH1A1

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-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US claimed
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives BOETTCHER HENNING (DE) 2005-05-05 US disclosed
EP-1198453-A2 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-24 EP disclosed
WO-2001007435-A2 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES ALS 5-HT2A-RECEPTOR LIGANDS MERCK PATENT GMBH (DE) 2001-02-01 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-20050096330-A1 N-(indolecarbonyl) piperazine derivatives HTR2A, HTR2B, HTR2C GHSR 65/4885MAPK14 4409/4885MAPT 1280/4885

“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.