SCHEMBL4498809

SCHEMBL4498809

CC(C)CNC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.64
KDM4E B2RXH2 1/20 0.53
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAOB P27338 2/20 0.51
HDAC3 O15379 1/20 0.50
HTR6 P50406 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50

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
SCHEMBL4505460 0.88 HRH3 (0.68) HRH3KDM4EKCNH2MAOB
SCHEMBL4506398 0.86 HRH3 (0.65) HRH3KDM4EKCNH2MAOBHTR6
SCHEMBL4499048 0.85 HRH3 (0.64) HRH3KDM4EKCNH2HTR6HDAC1
SCHEMBL4509190 0.85 HRH3 (0.64) HRH3KDM4EMAOBHDAC3HTR6
SCHEMBL4490636 0.83 HRH3 (0.64) HRH3KDM4EMAOBHDAC3HTR6
SCHEMBL4501875 0.82 HRH3 (0.63) HRH3KDM4EMAOBHDAC3HTR6
SCHEMBL4496358 0.82 HRH3 (0.72) HRH3KDM4EKCNH2MAOB
SCHEMBL4502549 0.81 HRH3 (0.67) HRH3KDM4EMAOB
SCHEMBL4488748 0.81 HRH3 (0.77) HRH3KDM4EMAOB
SCHEMBL4505134 0.81 HRH3 (0.61) HRH3KDM4EMAOBHDAC3HTR6

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-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
EP-1755593-B1 NAPHTHALENE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US disclosed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HOFFMAN-LA ROCHE INC. 2006-01-12 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 (2 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-20070265254-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885KDM4E 1829/4885PRMT5 1907/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885KDM4E 1829/4885PRMT5 1907/4885

“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.