SCHEMBL6749798

SCHEMBL6749798

COCN1c2ccccc2N(CCCCNS(=O)(=O)c2ccc(C)cc2)c2nccnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
HTR7 P34969 3/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 7/20 0.45
MBTD1 Q05BQ5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
MAPK1 P28482 1/20 0.42
F13A1 P00488 1/20 0.41

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
SCHEMBL6749515 0.81 AKT1 (0.47) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL6747496 0.73 TP53 (0.33) HTR1AHTR7HTR2AALDH1A1L3MBTL1
SCHEMBL7095382 0.73 HTR1A (0.58) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL7094852 0.70 ALDH1A1 (0.79) ALDH1A1MBTD1L3MBTL1LMNAHPGD
SCHEMBL7140092 0.69 MTNR1A (0.39) HTR1AHTR2ADRD2DRD4ADRA1A
SCHEMBL7094855 0.69 L3MBTL1 (0.59) HTR1AALDH1A1MBTD1L3MBTL1LMNA
SCHEMBL17368827 0.69 ALDH1A1 (0.49) HTR1AHTR7HTR2ASLC6A4HTR2B
SCHEMBL7097551 0.69 ALDH1A1 (0.77) ALDH1A1MBTD1L3MBTL1LMNAHTT
SCHEMBL7095193 0.69 ALDH1A1 (0.77) ALDH1A1MBTD1L3MBTL1LMNAHTT
SCHEMBL7093365 0.69 ALDH1A1 (0.77) ALDH1A1MBTD1L3MBTL1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 HTR1A 1339/4885HTR7 1009/4885HTR2A 1996/4885

“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.