SCHEMBL4490636

SCHEMBL4490636

O=C(NCC1CC1)c1ccc2cc(OCCCN3CCCCC3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.64
MAOB P27338 1/20 0.56
AVPR1B P47901 3/20 0.53
HDAC3 O15379 1/20 0.50
HTR6 P50406 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL4501875 0.97 HRH3 (0.63) HRH3MAOBAVPR1BHDAC3HTR6
SCHEMBL4505134 0.87 HRH3 (0.61) HRH3MAOBHDAC3HTR6HDAC1
SCHEMBL4505460 0.86 HRH3 (0.68) HRH3MAOBKDM4ESLC6A2
SCHEMBL4502549 0.85 HRH3 (0.67) HRH3MAOBKDM4E
SCHEMBL4490295 0.84 HRH3 (0.65) HRH3MAOB
SCHEMBL4514549 0.84 HRH3 (0.65) HRH3MAOB
SCHEMBL4488208 0.84 HRH3 (0.65) HRH3MAOB
SCHEMBL4499089 0.84 HRH3 (0.65) HRH3MAOB
SCHEMBL4506398 0.84 HRH3 (0.65) HRH3MAOBHTR6HDAC1KDM4E
SCHEMBL4509190 0.83 HRH3 (0.64) HRH3MAOBHDAC3HTR6HDAC1

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 HRH3 1/4885MAOB 1735/4885AVPR1B 346/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885MAOB 1735/4885AVPR1B 346/4885

“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.