SCHEMBL5482452

SCHEMBL5482452

CCCCCOC(N)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
SIGMAR1 Q99720 5/20 0.44
S1PR2 O95136 2/20 0.42
S1PR1 P21453 2/20 0.42
HTR2A P28223 1/20 0.42
S1PR3 Q99500 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
SCHEMBL10818929 0.95 SIGMAR1 (0.43) CSNK1ESIGMAR1
SCHEMBL28475117 0.83 CSNK1E (0.50) CSNK1ESIGMAR1
SCHEMBL3033446 0.81 KCNH2 (0.44) CSNK1ESIGMAR1HTR2A
SCHEMBL27624451 0.78 TDP1 (0.47) HTR2A
SCHEMBL8726699 0.78 EPHX1 (0.50) CSNK1ESIGMAR1
SCHEMBL5605740 0.77 PLA2G2A (0.50)
SCHEMBL5606109 0.77 PLA2G2A (0.50)
SCHEMBL9747898 0.76 KCNH2 (0.43) SIGMAR1HTR2A
Isopropylamine SCHEMBL1648067 0.75 HTR2A (0.62) CSNK1ESIGMAR1S1PR2S1PR1HTR2A
SCHEMBL19511373 0.75 MEN1 (0.46) CSNK1ESIGMAR1

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-20070032555-A1 Novel aryloxyphenyl-propanamines CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 US 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-20070032555-A1 Novel aryloxyphenyl-propanamines SLC6A2, SLC6A3, SLC18A1 CSNK1E 2356/4885SIGMAR1 48/4885S1PR2 697/4885

“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.