SCHEMBL5124406

SCHEMBL5124406

CCC(C)C(N)C(N)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KIF11 P52732 9/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
AOC3 Q16853 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL636461 0.84 SLC6A4 (0.46) SLC6A4MAOAMAOBKIF11CYP1A2
SCHEMBL2837925 0.84 SLC6A4 (0.46) SLC6A4MAOAMAOBKIF11CYP1A2
SCHEMBL162234 0.84 SLC6A4 (0.46) SLC6A4MAOAMAOBKIF11CYP1A2
SCHEMBL30664386 0.82 SLC6A4 (0.44) SLC6A4MAOAMAOBKIF11CYP1A2
SCHEMBL5479687 0.81 KIF11 (0.43) SLC6A4MAOAMAOBKIF11CYP1A2
SCHEMBL14596128 0.78 SLC6A4 (0.47) SLC6A4MAOAMAOBKIF11CYP1A2
SCHEMBL635988 0.78 SLC6A4 (0.47) SLC6A4MAOAMAOBKIF11CYP1A2
SCHEMBL10038034 0.78 ACHE (0.52) SLC6A4MAOAMAOBKIF11CA1
SCHEMBL16329073 0.78 ACHE (0.52) SLC6A4MAOAMAOBKIF11CA1
SCHEMBL19594180 0.75 TAS1R3 (0.43) SLC6A4MAOAMAOBKIF11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462722-B2 Process for producing optically active-3-quinuclidinols TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-12-09 US disclosed
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP disclosed
EP-1650207-A1 Process for producing optically active 3-quinuclidinols Takasago International Corporation (JP) 2006-04-26 EP disclosed
US-20060047122-A1 Process for producing optically active-3-quinuclidinols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 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-20060047122-A1 Process for producing optically active-3-quinuclidinols DHPS, QDPR, TYR SLC6A4 3322/4885MAOA 702/4885MAOB 954/4885

“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.