SCHEMBL12847652

SCHEMBL12847652

CC(C)N(C)CCNCCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL21126648 0.88 CYP2C9 (0.40) CYP2C9CYP2C19TDP1
SCHEMBL12790496 0.79 MEN1 (0.39) CYP2C9CYP2C19
SCHEMBL25553529 0.77 CYP2C19 (0.60) CYP2C9CYP2C19TDP1MAPT
SCHEMBL15467596 0.76 CYP2C19 (0.38) CYP2C9CYP2C19
SCHEMBL22952336 0.76 CYP2C9 (0.32) CYP2C9CYP2C19
SCHEMBL13216010 0.76 TSHR (0.44) CYP2C9CYP2C19TDP1
SCHEMBL863534 0.75
SCHEMBL188592 0.75
SCHEMBL19544283 0.74 CYP2C9 (0.30) CYP2C9CYP2C19
SCHEMBL13356289 0.74 ANPEP (0.33) CYP2C9CYP2C19

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-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 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-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB CYP2C9 3954/4885CYP2C19 3965/4885TDP1 3041/4885

“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.