SCHEMBL4514231

SCHEMBL4514231

COc1cccc(CNC(=O)c2ccc3cc(OCCCN4CCCCC4C)ccc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.51
MMP13 P45452 2/20 0.50
ADORA2A P29274 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
CACNA1G O43497 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4500185 0.86 ALDH1A1 (0.60) ALDH1A1GAAMMP13ADORA2AHRH3
SCHEMBL4500972 0.84 HRH3 (0.58) ALDH1A1GAATP53MMP13ADORA2A
SCHEMBL4512363 0.79 MMP13 (0.53) ALDH1A1GAATP53MMP13SLC6A2
SCHEMBL4495487 0.79 HRH3 (0.60) GAAHRH3SLC6A2SLC6A4
SCHEMBL4500474 0.77 HRH3 (0.68) HRH3
SCHEMBL4504730 0.76 SCN1A (0.52) HRH3AURKAAURKB
SCHEMBL4501931 0.76 HRH3 (0.59) HRH3
SCHEMBL4505418 0.75 HRH3 (0.76) HRH3
SCHEMBL4500578 0.74 HRH3 (0.76) HRH3
Hydrochloric Acid SCHEMBL5010653 0.74 CACNA1G (0.81) CACNA1G

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 ALDH1A1 1233/4885GAA 2402/4885TP53 3334/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 ALDH1A1 1233/4885GAA 2402/4885TP53 3334/4885

“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.