SCHEMBL6096741

SCHEMBL6096741

CC(C)CCC(N1CCCC(c2c[nH]c3ccccc23)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
CYP2D6 P10635 1/20 0.44
HSD11B1 P28845 1/20 0.43
HTR1A P08908 4/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
KCNH2 Q12809 2/20 0.41
HDAC1 Q13547 1/20 0.41
HTR7 P34969 4/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTR6 P50406 2/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1B P35368 1/20 0.41
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL6096481 0.83 HTR6 (0.47) HTR1AHTR6MEN1PKMKMT2A
SCHEMBL10169423 0.79 KDM4E (0.61) KDM4EATMCYP2D6HSD11B1HTR1A
SCHEMBL6099244 0.78 HTR2B (0.44) KDM4EHTR1AALDH1A1HTR7DRD2
SCHEMBL6097057 0.76 RORC (0.41) KDM4EHSD11B1
SCHEMBL6099635 0.76 LMNA (0.45) KDM4EHTR1AALDH1A1POLBHTR7
SCHEMBL6095722 0.76 ALDH1A1 (0.37) KDM4EHTR1AALDH1A1POLBHTR7
SCHEMBL6095467 0.76 RORC (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL6096066 0.76 DRD2 (0.34) KDM4EHTR1AALDH1A1KCNH2HTR7
SCHEMBL6098065 0.75 ALDH1A1 (0.47) KDM4EHSD11B1HTR1AALDH1A1KCNH2
SCHEMBL6098434 0.75 DRD2 (0.37) KDM4EHTR1AALDH1A1HTR7DRD2

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
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A KDM4E 2306/4885ATM 1610/4885CYP2D6 428/4885

“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.