SCHEMBL1148845

SCHEMBL1148845

CCCCc1cc(F)c2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 19/20 0.44
KCNH2 Q12809 19/20 0.44
TRPV1 Q8NER1 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CHRM1 P11229 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL3717020 0.84 CCR1 (0.42) CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL28864861 0.83 CCR1 (0.41) CYP3A4CYP2D6HTR2CHTR2B
SCHEMBL7449814 0.82 HRH1 (0.44) HRH1KCNH2TRPV1CYP3A4CYP2D6
SCHEMBL3715453 0.81 GLO1 (0.52) CYP3A4CYP2D6
SCHEMBL22411254 0.80 GLO1 (0.38) HRH1KCNH2TRPV1
SCHEMBL31026579 0.79 CCR1 (0.55) HRH1KCNH2TRPV1CYP3A4CYP2D6
SCHEMBL7435918 0.78 TRPV1 (0.48) HRH1KCNH2TRPV1CYP3A4CYP2D6
SCHEMBL28864802 0.78 LOXL2 (0.42) CYP3A4CYP2D6
SCHEMBL11686678 0.77 TRPV1 (0.59) TRPV1
SCHEMBL7446377 0.77 TRPV1 (0.47) HRH1KCNH2TRPV1

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 16 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
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US disclosed
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-11-17 US 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-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-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-20100222349-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES GLAXO GROUP LIMITED (GB) 2010-09-02 US disclosed
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed
EP-2205585-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES Glaxo Group Limited (GB) 2010-07-14 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
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
WO-2009050204-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009021965-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-19 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-20090270355-A1 Compounds CMA1, HRH4, CCL11 HRH1 7/4885KCNH2 884/4885TRPV1 25/4885
US-20100222349-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES IL5, HRH2, HRH1 HRH1 3/4885KCNH2 1186/4885TRPV1 92/4885
US-20110281909-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS HRH1, HRH2, HRH4 HRH1 1/4885KCNH2 303/4885TRPV1 41/4885

“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.