SCHEMBL5947539

SCHEMBL5947539

FC(F)(F)COc1cccc(CNCCc2ccc(Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 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
▸ HTT P42858 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTR1A P08908 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ CNR1 P21554 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
SCHEMBL5947775 0.86 BCHE (0.62) BCHEKDM4EMEN1KMT2AHTR1A
SCHEMBL5947127 0.84 BCHE (0.50) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5947203 0.84 KDM4E (0.66) BCHEKDM4EMEN1KMT2AHTR1A
SCHEMBL12228162 0.84 BCHE (0.54) BCHEKDM4EMEN1KMT2AHTR1A
SCHEMBL5947542 0.82 BCHE (0.60) BCHEKDM4EMEN1KMT2AALDH1A1
SCHEMBL5947418 0.81 BCHE (0.58) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5947937 0.81 CYP1A2 (0.53) BCHECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22957720 0.80 BCHE (0.49) BCHESMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL5947217 0.80 HTR2A (0.59) KMT2AHTR1ADRD2HTR2AHTR2C
SCHEMBL5947749 0.80 HTR6 (0.67) BCHEMEN1KMT2ALMNAALDH1A1

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 763/4885CYP1A2 530/4885CYP3A4 939/4885

“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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