SCHEMBL5947462

SCHEMBL5947462

COc1ccc(Oc2cccc(CNCCc3cccc(Cl)c3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ HTT P42858 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ BCHE P06276 3/20 0.58
▸ CHRM2 P08172 3/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ADRB3 P13945 2/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL5947523 0.91 CYP1A2 (0.56) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947405 0.90 CYP1A2 (0.52) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947283 0.90 BCHE (0.58) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947672 0.88 CYP1A2 (0.70) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947266 0.87 KDM4E (0.56) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947090 0.87 CYP1A2 (0.49) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947496 0.86 CYP1A2 (0.53) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947143 0.86 KDM4E (0.80) KDM4EALDH1A1HTTSMN1; SMN2BCHE
SCHEMBL5947135 0.86 CYP1A2 (0.56) BCHECHRM2CYP1A2CYP3A4CYP2D6
SCHEMBL5947549 0.85 BCHE (0.76) KDM4EALDH1A1HTTSMN1; SMN2BCHE

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 4 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
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 — — CN 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 KDM4E 1970/4885ALDH1A1 1218/4885HTT 465/4885

“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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