SCHEMBL6409291

SCHEMBL6409291

O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc2oc(=O)n(CCN3CCCCC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.66
▸ HTR2C P28335 3/20 0.53
▸ HTR2B P41595 3/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ NOS3 P29474 2/20 0.52
▸ NOS1 P29475 2/20 0.52
▸ NOS2 P35228 2/20 0.52
▸ DRD2 P14416 6/20 0.51
▸ DRD3 P35462 5/20 0.51
▸ SIGMAR1 Q99720 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL6408928 0.80 TMEM97 (0.65) TMEM97NOS3NOS1NOS2DRD2
SCHEMBL6408326 0.78 TMEM97 (0.72) TMEM97NOS3NOS1NOS2DRD2
SCHEMBL12124425 0.71 TMEM97 (0.66) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL6408019 0.71 TMEM97 (0.66) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL12124424 0.70 SIGMAR1 (0.83) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL6411291 0.70 HTR2C (0.76) HTR2CHTR2BHTR2ADRD3
SCHEMBL3783137 0.70 HTR2C (1.00) HTR2CHTR2BHTR2ASIGMAR1KCNH2
SCHEMBL6408932 0.69 HTR2C (1.00) HTR2CHTR2BHTR2ADRD3
SCHEMBL21616830 0.68 SIGMAR1 (0.63) TMEM97SIGMAR1
SCHEMBL12531987 0.67 TMEM97 (0.50) TMEM97HTR2CNOS3NOS1NOS2

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-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 — — US claimed
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 — — EP claimed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 — — WO claimed
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 — — US disclosed
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 — — EP disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 — — 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-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity HTR2C, HTR3C, HTR5A TMEM97 244/4885HTR2C 1/4885HTR2B 28/4885

“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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