SCHEMBL4495576

SCHEMBL4495576

CC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCc5ccccc5C4)ccc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.70
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
NAMPT P43490 2/20 0.48
PRMT5 O14744 5/20 0.46
WDR77 Q9BQA1 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL4499086 0.88 HRH3 (0.71) HRH3HSP90AA1HSP90AB1
SCHEMBL4496386 0.84 HRH3 (0.84) HRH3KMT2AMEN1
SCHEMBL4493970 0.84 HRH3 (0.69) HRH3KMT2AHSP90AA1HSP90AB1NPC1
SCHEMBL4498703 0.83 HRH3 (0.83) HRH3KMT2AMEN1
SCHEMBL4490575 0.82 HRH3 (1.00) HRH3KMT2AMEN1NPC1RAB9A
SCHEMBL4487432 0.82 HRH3 (0.85) HRH3KMT2AMEN1
SCHEMBL4506659 0.82 HRH3 (0.80) HRH3KMT2AMEN1
SCHEMBL4496409 0.82 HRH3 (0.80) HRH3KMT2AMEN1
SCHEMBL4500028 0.82 HRH3 (0.80) HRH3KMT2AMEN1
SCHEMBL3387972 0.79 HRH3 (0.76) HRH3KMT2AMEN1

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 7 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
EP-1755593-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HOFFMAN-LA ROCHE INC. 2006-01-12 US disclosed
WO-2005117865-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO 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 1/4885KMT2A 588/4885MEN1 2140/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 588/4885MEN1 2140/4885

“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.