SCHEMBL6098047

SCHEMBL6098047

O=C(c1ccc2cc[nH]c2c1)N1CCN(c2cccs2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.61
MAPK14 Q16539 2/20 0.57
MGLL Q99685 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ENPP2 Q13822 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
OXTR P30559 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 SCHEMBL27579504 0.99 GHSR (0.60) GHSRMAPK14MGLLKDM4EALDH1A1
SCHEMBL6093818 0.92 MAPK14 (0.57) GHSRMAPK14MGLLKDM4EOXTR
SCHEMBL6096974 0.80 GHSR (0.57) GHSRMAPK14MGLLKDM4EALDH1A1
SCHEMBL16002856 0.79 GHSR (0.69) GHSRMAPK14KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL27574061 0.79 GHSR (0.56) GHSRMAPK14MGLLKDM4EALDH1A1
SCHEMBL5279687 0.79 MAPK14 (0.60) GHSRMAPK14KDM4EALDH1A1HSD17B10
SCHEMBL5925669 0.79 GHSR (0.56) GHSRMAPK14HPGDTSHR
SCHEMBL6110669 0.79 GHSR (0.61) GHSRMAPK14MGLLKDM4EALDH1A1
SCHEMBL17443852 0.78 GHSR (0.75) GHSRMAPK14KDM4EALDH1A1HPGD
SCHEMBL29944074 0.76 GHSR (0.71) GHSRMAPK14KDM4EALDH1A1HPGD

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 4409/4885MGLL 2125/4885

“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.