SCHEMBL4500934

SCHEMBL4500934

O=C(O)c1ccc2ccccc2c1OCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.56
BCHE P06276 4/20 0.54
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HRH3 Q9Y5N1 5/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
Hydrochloric Acid SCHEMBL10595408 0.93 GCGR (0.54) GCGRBCHEKDM4ESMN1; SMN2HRH3
SCHEMBL30021791 0.81 WDR5 (0.58) KDM4EALDH1A1TDP1KMT2A
SCHEMBL7746816 0.78 CNR2 (0.54) TDP1
SCHEMBL21741610 0.78 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3MAPT
SCHEMBL11504333 0.77 WDR5 (0.53) KDM4EALDH1A1TDP1
SCHEMBL10693530 0.77 TDP1 (0.58) GCGRKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL11336084 0.77 MAPT (0.76) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2451953 0.77 CNR1 (0.55) ALDH1A1TDP1
SCHEMBL4525598 0.77 CXCR2 (0.67) GCGRBCHEKDM4ESMN1; SMN2MEN1
SCHEMBL3927980 0.76 CXCR2 (0.58) KDM4EALDH1A1SMN1; SMN2MEN1PKM

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 4 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-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 GCGR 191/4885BCHE 1597/4885KDM4E 1829/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 GCGR 191/4885BCHE 1597/4885KDM4E 1829/4885

“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.