SCHEMBL1381004

SCHEMBL1381004

O=C(NCC1CCCCC1)c1ccc2cc(OCCCN3CCCCC3)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.65
SCN9A Q15858 6/20 0.56
AVPR1B P47901 3/20 0.53
ATF4 P18848 1/20 0.50
HTR7 P34969 1/20 0.50
BMPR1B O00238 1/20 0.47
BMPR1A P36894 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46

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 0.85 HRH3 (0.63) HRH3AVPR1B
SCHEMBL2208923 0.85 HRH3 (0.55) HRH3AVPR1BPDE3BPDE3A
SCHEMBL2209038 0.84 HRH3 (0.59) HRH3SCN9AATF4
SCHEMBL4490636 0.82 HRH3 (0.64) HRH3AVPR1B
SCHEMBL2208642 0.82 HRH3 (0.78) HRH3SCN9A
SCHEMBL1381470 0.81 HRH3 (0.63) HRH3SCN9AATF4BMPR1BBMPR1A
SCHEMBL1379252 0.80 HRH3 (0.61) HRH3SCN9AATF4PDE3BPDE3A
SCHEMBL2211794 0.80 HRH3 (0.98) HRH3SCN9A
SCHEMBL1381691 0.79 HRH3 (0.62) HRH3SCN9AAVPR1BATF4
SCHEMBL2210534 0.79 HRH3 (0.60) HRH3SCN9AATF4PDE3BPDE3A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP claimed
JP-4660553-B2 2011-03-30 JP claimed
US-7534891-B2 Quinoline derivatives as H3R inverse agonists HOFFMAN-LA ROCHE INC. (US) 2009-05-19 US claimed
JP-2008517003-A 2008-05-22 JP claimed
EP-1805166-A1 QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-11 EP claimed
WO-2006045416-A1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO claimed
US-20060084679-A1 Quinoline derivatives as H3R inverse agonists HOFFMANN-LA ROCHE INC. 2006-04-20 US claimed
EP-1805166-B1 QUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP disclosed
US-7534891-B2 Quinoline derivatives as H3R inverse agonists HOFFMAN-LA ROCHE INC. (US) 2009-05-19 US disclosed
EP-1805166-A1 QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-11 EP disclosed
WO-2006045416-A1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084679-A1 Quinoline derivatives as H3R inverse agonists HOFFMANN-LA ROCHE INC. 2006-04-20 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 (1 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-20060084679-A1 Quinoline derivatives as H3R inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885SCN9A 690/4885AVPR1B 250/4885

“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.