SCHEMBL6093704

SCHEMBL6093704

O=C(c1cccc2cc[nH]c12)N1CCN(c2ccsc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
USP2 O75604 3/20 0.44
TSHR P16473 3/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
PDPK1 O15530 1/20 0.44
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8295958 0.84 ALDH1A1 (0.64) KEAP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL6096614 0.81 MAPK14 (0.56) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL8296024 0.81 MAPK1 (0.65) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL6096895 0.80 ALDH1A1 (0.47) KEAP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL8291050 0.80 KEAP1 (0.54) KEAP1ALDH1A1KMT2ATSHRPDPK1
SCHEMBL6094784 0.79 HTR2A (0.45) KEAP1MEN1KMT2AHCRTR1HCRTR2
SCHEMBL6094782 0.79 HCRTR1 (0.41) KEAP1ALDH1A1MEN1KMT2AHCRTR1
SCHEMBL9432576 0.79 MAPT (0.53) KEAP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL8291046 0.77 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHCRTR1HCRTR2
SCHEMBL2214668 0.77 KEAP1 (0.57) KEAP1ALDH1A1TSHRHCRTR1HCRTR2

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 6 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
CN-1364157-A N-(indolcarbonyl) piperazin derivatives MERCK PATENT GMBH (DE) 2002-08-14 CN 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 KEAP1 2710/4885ALDH1A1 2239/4885MEN1 1162/4885

“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.