SCHEMBL6096974

SCHEMBL6096974

O=C(c1ccc2cc[nH]c2c1)N1CCN(c2ccc(Cl)s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.57
MAPK14 Q16539 3/20 0.56
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ENPP2 Q13822 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC6A7 Q99884 1/20 0.44
MGLL Q99685 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 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 SCHEMBL27574061 0.99 GHSR (0.56) GHSRMAPK14GAAMAPTRECQL
SCHEMBL6094559 0.92 MAPK14 (0.56) GHSRMAPK14GAAMAPTRECQL
SCHEMBL6095064 0.84 GHSR (0.57) GHSRMAPK14GAAMAPTRECQL
Hydrochloric Acid SCHEMBL27574062 0.83 GHSR (0.56) GHSRMAPK14GAAMAPTRECQL
SCHEMBL6098047 0.80 GHSR (0.61) GHSRMAPK14MAPTKDM4EALDH1A1
SCHEMBL5283296 0.79 MAPK14 (0.59) GHSRMAPK14MAPTKDM4EALDH1A1
SCHEMBL5283293 0.79 GHSR (0.52) GHSRMAPK14KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL27579504 0.79 GHSR (0.60) GHSRMAPK14MAPTKDM4EALDH1A1
SCHEMBL17443852 0.77 GHSR (0.75) GHSRMAPK14MAPTKDM4EALDH1A1
SCHEMBL6097059 0.76 MAPK14 (0.57) MAPK14GAAMAPTRECQLSLC6A7

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 4409/4885GAA 2544/4885

“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.