SCHEMBL4512417

SCHEMBL4512417

NC(=O)C1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.78
MAOB P27338 1/20 0.56
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2D6 P10635 1/20 0.49

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
SCHEMBL4506964 0.89 HRH3 (0.83) HRH3MAOB
SCHEMBL4496421 0.89 HRH3 (0.83) HRH3MAOB
SCHEMBL4503395 0.88 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL4505393 0.88 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL4512059 0.88 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL4498946 0.88 HRH3 (0.81) HRH3MAOB
SCHEMBL4502390 0.88 HRH3 (1.00) HRH3MAOBNPC1RAB9A
SCHEMBL4511907 0.87 HRH3 (0.98) HRH3ALDH1A1
Hydrochloric Acid SCHEMBL5035251 0.87 HRH3 (0.98) HRH3ALDH1A1
SCHEMBL4511982 0.87 HRH3 (1.00) HRH3MAOBCYP2D6

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 1/4885MAOB 1735/4885NPC1 299/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885MAOB 1735/4885NPC1 299/4885

“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.