SCHEMBL4494253

SCHEMBL4494253

O=C(c1ccc2cc(O)ccc2c1)N1CCSCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 2/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 2/20 0.50
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C1 Q04828 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL4503263 0.85 L3MBTL3 (0.60) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL4496125 0.84 HPGD (0.61) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL4506219 0.83 HPGD (0.71) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL1587695 0.83 LMNA (0.56) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL29167317 0.81 LMNA (0.55) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL4494826 0.81 HPGD (0.59) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL12640130 0.81 ALDH1A1 (0.62) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL4512023 0.79 NPC1 (0.76) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL4499184 0.78 HRH3 (0.56) HPGDALDH1A1HSD17B10LMNAUSP2
SCHEMBL31418384 0.77 CCNC (0.50) HPGDALDH1A1HSD17B10LMNATSHR

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 14 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
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
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
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-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US 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-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 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 HPGD 356/4885ALDH1A1 1233/4885HSD17B10 1691/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HPGD 356/4885ALDH1A1 1233/4885HSD17B10 1691/4885

“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.