SCHEMBL6553058

SCHEMBL6553058

COC(=O)c1cc2c(s1)CCOC2CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADRA1B P35368 1/20 0.33
CSNK2A2 P19784 1/20 0.33
KDR P35968 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DRD2 P14416 5/20 0.33
HTR1D P28221 5/20 0.33
HTR2A P28223 5/20 0.33
HTR1A P08908 3/20 0.33
DRD4 P21917 2/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL6552136 0.84 HPGD (0.35) HPGDKDM4EMAPK1RAB9ANPC1
SCHEMBL6794127 0.83 PNMT (0.40) RAB9ASMN1; SMN2TAAR1DRD2HTR1D
SCHEMBL13550160 0.72 KDM4E (0.49) HPGDKDM4EMAPK1RAB9ANPC1
SCHEMBL1397773 0.70 KDM4E (0.44) HPGDKDM4EMAPK1RAB9ANPC1
SCHEMBL13550125 0.68 KDM4E (0.44) HPGDKDM4EMAPK1RAB9ANPC1
SCHEMBL12052004 0.65 KDM4E (0.37) HPGDKDM4EMAPK1RAB9ANPC1
SCHEMBL12051984 0.65 KDM4E (0.42) HPGDKDM4EMAPK1RAB9ANPC1
SCHEMBL18723896 0.64 TAAR1 (0.43) HPGDKDM4ESMN1; SMN2ALDH1A1TAAR1
SCHEMBL20906510 0.64 HTR1D (0.48) ALDH1A1DRD2HTR1DHTR2AHTR1A
SCHEMBL26983474 0.63 KDM4E (0.46) HPGDKDM4EMAPK1RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E HPGD 1799/4885KDM4E 2391/4885MAPK1 3694/4885

“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.