SCHEMBL3058650

SCHEMBL3058650

CCCCc1cc(O[C@@H]2CCN(C(=O)O)C2)c2ncccc2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.64
KCNH2 Q12809 20/20 0.64
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CHRM1 P11229 2/20 0.60
CYP2C9 P11712 2/20 0.60
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60

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
SCHEMBL3057591 1.00 HRH1 (0.64) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL1148995 0.88 HRH1 (0.60) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3045766 0.85 HRH1 (0.67) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3045770 0.85 HRH1 (0.67) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3053140 0.85 HRH1 (0.71) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3040410 0.85 HRH1 (0.68) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3054505 0.85 HRH1 (0.68) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL1149079 0.84 HRH1 (0.64) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3041500 0.84 HRH1 (0.62) HRH1KCNH2CYP3A4CYP2D6CHRM1
SCHEMBL3061376 0.84 HRH1 (0.62) HRH1KCNH2CYP3A4CYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222349-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES GLAXO GROUP LIMITED (GB) 2010-09-02 US disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 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-20090270355-A1 Compounds CMA1, HRH4, CCL11 HRH1 7/4885KCNH2 884/4885CYP3A4 253/4885
US-20100222349-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES IL5, HRH2, HRH1 HRH1 3/4885KCNH2 1186/4885CYP3A4 244/4885

“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.