SCHEMBL6408928

SCHEMBL6408928

O=c1oc2ccc(NCCNc3ccc(Cl)c(Cl)c3)cc2n1CCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.65
▸ NOS3 P29474 3/20 0.51
▸ NOS1 P29475 3/20 0.51
▸ NOS2 P35228 3/20 0.51
▸ SIGMAR1 Q99720 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ MAPT P10636 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
SCHEMBL6409291 0.80 TMEM97 (0.66) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL6408326 0.74 TMEM97 (0.72) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL6408019 0.71 TMEM97 (0.66) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL12124425 0.71 TMEM97 (0.66) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL12124424 0.69 SIGMAR1 (0.83) TMEM97NOS3NOS1NOS2SIGMAR1
SCHEMBL21616830 0.67 SIGMAR1 (0.63) TMEM97SIGMAR1KMT2A
SCHEMBL6408467 0.66 HTR2A (0.58) SIGMAR1
SCHEMBL6410846 0.66 EPHA2 (0.48) SIGMAR1EGFR
SCHEMBL6408957 0.65 HTR2C (0.61) EGFR
SCHEMBL31757917 0.65 TMEM97 (0.57) TMEM97NOS3NOS1NOS2SIGMAR1

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 3 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 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 244/4885NOS3 427/4885NOS1 1162/4885

“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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