SCHEMBL1148935

SCHEMBL1148935

C[C@H](N)CCCCCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
TRPV1 Q8NER1 1/20 0.48
TRPA1 O75762 1/20 0.48
DNM1 Q05193 5/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL2702023 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL7537556 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL6764606 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL372243 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL14252448 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL436259 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL20028330 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL11435713 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12
SCHEMBL21401418 1.00
SCHEMBL28612798 1.00 OPRM1 (0.57) OPRM1TRPV1TRPA1DNM1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
EP-2215082-B1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2011-09-21 EP disclosed
US-7884114-B2 N-(4-{4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide for treatment of allergic rhinitis GLAXO GROUP LIMITED (GB) 2011-02-08 US disclosed
US-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
EP-2215082-A1 PHTHALAZINE AND PYRIDO Ý3,4-D¨PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-08-11 EP disclosed
EP-2185542-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-05-19 EP disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
WO-2009047336-A1 PHTHALAZINE AND PYRIDO [3,4-D] PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed
WO-2009021965-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-19 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 (3 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-20100216799-A1 PHTHALAZINE AND PYRIDO[3,4-D]PYRIDAZINE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH1 OPRM1 1105/4885TRPV1 16/4885TRPA1 65/4885
US-20090270355-A1 Compounds CMA1, HRH4, CCL11 OPRM1 1478/4885TRPV1 25/4885TRPA1 34/4885
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS HRH1, HRH2, HRH4 OPRM1 339/4885TRPV1 41/4885TRPA1 76/4885

“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.