SCHEMBL19197834

SCHEMBL19197834

CC(C)(C)C1CCCCN(C(C)(C)C)CCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL18460259 0.98 EPHX1 (0.36) EPHX1HTTL3MBTL1CYP2D6KCNH2
SCHEMBL20685173 0.98 EPHX1 (0.36) EPHX1HTTL3MBTL1CYP2D6KCNH2
SCHEMBL18531920 0.95 CYP2D6 (0.32) EPHX1HTTL3MBTL1CYP2D6KCNH2
SCHEMBL20685148 0.93 CYP2D6 (0.33) EPHX1HTTL3MBTL1CYP2D6KCNH2
SCHEMBL20043231 0.91 CYP2D6 (0.34) CYP2D6KCNH2HRH3
SCHEMBL2732106 0.91 CYP2D6 (0.34) CYP2D6KCNH2HRH3
SCHEMBL21969664 0.84
SCHEMBL17545823 0.84
SCHEMBL2614325 0.82
SCHEMBL2601347 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969744-B2 Compounds for use in cognition improvement FUNDACIÓN LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2018-05-15 US disclosed
US-20170217973-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-08-03 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-20170217973-A1 NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT CHAT, NLN, GRIN2C EPHX1 1054/4885HTT 293/4885L3MBTL1 4419/4885

“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.