SCHEMBL5947459

SCHEMBL5947459

Clc1cccc(CCNCc2cccc(Nc3ccccn3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CHRM2 P08172 1/20 0.48
▸ HDAC1 Q13547 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ NOS1 P29475 3/20 0.42
▸ NOS3 P29474 2/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41

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
SCHEMBL5947247 0.83 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947435 0.83 ROCK1 (0.54) KDM4EAURKALMNAMAPTMAPK1
SCHEMBL5947267 0.81 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947738 0.81 KMT2A (0.48) LMNAMAPTMAPK1
SCHEMBL5947316 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL3957102 0.79 HTR3E (0.58) —
SCHEMBL5947480 0.77 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL5947554 0.76 KMT2A (0.58) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL28056252 0.75 TLR4 (0.47) KDM4EAURKAAURKBMAPTSMN1; SMN2
SCHEMBL23938199 0.75 KDM4E (0.69) HDAC1KDM4ENOS1

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 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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