SCHEMBL6497248

SCHEMBL6497248

CNCCC(Sc1cc(C)ccc1C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HRH1 P35367 4/20 0.46
SLC6A4 P31645 12/20 0.42
SLC6A2 P23975 5/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
TSHR P16473 3/20 0.42
SLC6A3 Q01959 3/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2C P28335 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR2B P41595 2/20 0.42
KCNH2 Q12809 2/20 0.42
KLF10 Q13118 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
LMNA P02545 2/20 0.42

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
Hydrochloric Acid SCHEMBL6497392 0.99 HTR2A (0.45) HTR2AHRH1SLC6A4SLC6A2CYP1A2
SCHEMBL7006501 0.85 HTR2A (0.51) HTR2AHRH1SLC6A4SLC6A2CYP1A2
SCHEMBL9326993 0.85 HTR2A (0.51) HTR2AHRH1SLC6A4SLC6A2CYP1A2
SCHEMBL6497290 0.74 NOS2 (0.54) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL9327063 0.73 SLC6A4 (0.56) HTR2AHRH1SLC6A4SLC6A2CYP1A2
SCHEMBL6498483 0.70 SLC6A4 (0.54) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL13717320 0.70 HTR2A (0.50) HTR2AHRH1SLC6A4SLC6A2CYP1A2
SCHEMBL6494143 0.69 SLC6A4 (0.72) HTR2AHRH1SLC6A4SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL6496956 0.69 SLC6A4 (0.71) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL10439837 0.67 SLC6A4 (0.56) HTR2AHRH1SLC6A4SLC6A2CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US disclosed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 US disclosed
EP-1263718-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062721-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO disclosed

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-20030073685-A1 Novel use of phenylheteroalkylamine derivatives CYP1A1, CYP1A2, CYP2E1 HTR2A 563/4885HRH1 172/4885SLC6A4 1977/4885

“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.