SCHEMBL5947266

SCHEMBL5947266

CSc1ccc(Oc2cccc(CNCCc3cccc(Cl)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ GAA P10253 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ADRB3 P13945 6/20 0.48
▸ CHRM2 P08172 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BCHE P06276 4/20 0.46
▸ ADRB1 P08588 4/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45

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 0.88 CYP1A2 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5947462 0.87 KDM4E (0.62) KDM4EALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL5947405 0.87 CYP1A2 (0.52) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5947283 0.86 BCHE (0.58) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5947672 0.84 CYP1A2 (0.70) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5947090 0.84 CYP1A2 (0.49) KDM4EALDH1A1GAACYP1A2CYP3A4
SCHEMBL5947496 0.83 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5947135 0.83 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19ADRB3
SCHEMBL27614768 0.82 CYP1A2 (0.52) KDM4EALDH1A1NPC1GAACYP1A2
SCHEMBL5947298 0.82 CYP1A2 (0.52) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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 1 patent. 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

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 1218/4885NPC1 2564/4885

“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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