SCHEMBL5947434

SCHEMBL5947434

CCCOc1cccc(CNCCc2ccncc2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.58
▸ CYP2D6 P10635 5/20 0.56
▸ ROCK2 O75116 2/20 0.56
▸ ROCK1 Q13464 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 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
SCHEMBL12228161 0.89 BCHE (0.72) BCHECYP2D6
SCHEMBL5947302 0.88 MAPK1 (0.56) BCHECYP2D6ROCK2ROCK1CYP3A4
SCHEMBL5947308 0.86 BCHE (0.59) BCHECYP2D6SMN1; SMN2MAPK1KCNH2
SCHEMBL5947547 0.85 BCHE (0.59) BCHECYP2D6SMN1; SMN2MAPK1KCNH2
SCHEMBL5947825 0.85 BCHE (0.73) BCHECYP2D6SMN1; SMN2
SCHEMBL5947204 0.85 BCHE (0.59) BCHECYP2D6SMN1; SMN2KCNH2
SCHEMBL5947391 0.85 BCHE (0.73) BCHECYP2D6SMN1; SMN2MEN1HTT
SCHEMBL5947471 0.85 BCHE (0.58) BCHECYP2D6SMN1; SMN2KCNH2
SCHEMBL5947161 0.85 SMN1; SMN2 (0.61) BCHECYP2D6CYP3A4CYP2C9SMN1; SMN2
SCHEMBL5947418 0.85 BCHE (0.58) BCHECYP2D6CYP3A4SMN1; SMN2MEN1

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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 — — US claimed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 — — EP claimed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 — — WO 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B BCHE 763/4885CYP2D6 143/4885ROCK2 3134/4885

“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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