SCHEMBL5947523

SCHEMBL5947523

Clc1ccc(Oc2cccc(CNCCc3cccc(Cl)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ CHRM2 P08172 1/20 0.54
▸ ADRB3 P13945 5/20 0.53
▸ BCHE P06276 3/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ADRB1 P08588 3/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ FDFT1 P37268 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ EPHX2 P34913 1/20 0.47

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
SCHEMBL5947283 0.93 BCHE (0.58) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947405 0.91 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947672 0.91 CYP1A2 (0.70) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947462 0.91 KDM4E (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947496 0.90 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947135 0.89 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947298 0.88 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947090 0.88 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947266 0.88 KDM4E (0.56) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947215 0.88 BCHE (0.62) CYP1A2CYP3A4CYP2D6CYP2C19BCHE

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 CYP1A2 530/4885CYP3A4 939/4885CYP2D6 143/4885

“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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