SCHEMBL4498703

SCHEMBL4498703

CC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCCCC4)ccc3c2)CC1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.83
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
ADRB2 P07550 2/20 0.56
PLA2G1B P04054 1/20 0.55
POLB P06746 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL4496386 0.99 HRH3 (0.84) HRH3KMT2AMEN1ADRB2PLA2G1B
SCHEMBL4490575 0.91 HRH3 (1.00) HRH3KMT2AMEN1
SCHEMBL4487432 0.91 HRH3 (0.85) HRH3KMT2AMEN1
SCHEMBL4506659 0.90 HRH3 (0.80) HRH3KMT2AMEN1ADRB2PLA2G1B
SCHEMBL4496409 0.90 HRH3 (0.80) HRH3KMT2AMEN1
SCHEMBL4500028 0.90 HRH3 (0.80) HRH3KMT2AMEN1
SCHEMBL4513942 0.86 HRH3 (0.98) HRH3KMT2A
SCHEMBL4500595 0.86 HRH3 (0.98) HRH3KMT2A
SCHEMBL3387972 0.85 HRH3 (0.76) HRH3KMT2AMEN1POLBALDH1A1
SCHEMBL4494910 0.84 HRH3 (1.00) HRH3KMT2A

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.