SCHEMBL4526330

SCHEMBL4526330

CN1CCN(c2nc3ccccc3cc2S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ KDM4E B2RXH2 3/20 0.53
▸ HTR6 P50406 4/20 0.52
▸ SCN10A Q9Y5Y9 1/20 0.52
▸ PIK3CA P42336 3/20 0.51
▸ HTR3B O95264 2/20 0.51
▸ HTR3A P46098 2/20 0.51
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3D Q70Z44 1/20 0.51
▸ HTR3C Q8WXA8 1/20 0.51
▸ HRH4 Q9H3N8 3/20 0.49
▸ DRD2 P14416 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL27858460 0.80 PIK3CA (0.79) ALDH1A1L3MBTL1KDM4EHTR6PIK3CA
SCHEMBL27949257 0.75 HRH4 (0.59) ALDH1A1KDM4EHTR3BHTR3AHTR3E
SCHEMBL24971028 0.74 HRH4 (0.65) ALDH1A1KDM4EHTR3BHTR3AHTR3E
SCHEMBL15865117 0.73 HRH4 (0.54) ALDH1A1KDM4EHTR3BHTR3AHTR3E
SCHEMBL27840966 0.72 PIK3CA (0.61) ALDH1A1KDM4EHTR6PIK3CAHTR3B
SCHEMBL27840951 0.71 PIK3CA (0.74) ALDH1A1KDM4EPIK3CAHTR3BHTR3A
SCHEMBL27858459 0.71 PIK3CA (0.74) KDM4EHTR6PIK3CAHTR3BHTR3A
SCHEMBL27767388 0.70 ALDH1A1 (0.67) ALDH1A1L3MBTL1KDM4EHTR6NPSR1
SCHEMBL27858470 0.69 PIK3CA (0.77) ALDH1A1KDM4EHTR6PIK3CAHRH4
SCHEMBL28329085 0.69 KDM4E (0.65) ALDH1A1KDM4EHTR6NPSR1GAA

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-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2009-12-03 — — US claimed

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-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR3B, HTR4 ALDH1A1 2869/4885L3MBTL1 3965/4885KDM4E 3423/4885

“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.

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