SCHEMBL790566

SCHEMBL790566

CN(C(=O)c1ccc(Oc2cccc(C#N)c2)nc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLNR O43193 2/20 0.58
HRH3 Q9Y5N1 3/20 0.52
KCNH2 Q12809 1/20 0.47
GRM5 P41594 5/20 0.46
TSHR P16473 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
OXTR P30559 2/20 0.41
GALR3 O60755 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK14 Q16539 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 1/20 0.40
VNN1 O95497 1/20 0.39

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
SCHEMBL790934 0.89 MLNR (0.46) MLNRHRH3GRM5TRPV1OXTR
SCHEMBL789618 0.88 HRH3 (0.50) MLNRHRH3KCNH2GRM5OXTR
SCHEMBL789965 0.86 HSD17B1 (0.57) MLNRGRM5TRPV1OXTRGALR3
SCHEMBL789585 0.85 HRH3 (0.50) MLNRHRH3KCNH2GRM5TRPV1
SCHEMBL790936 0.82 RAB9A (0.55) GALR3MAPK1RAB9AMAPT
SCHEMBL790255 0.82 LIPE (0.47) MLNRTRPV1OXTRGALR3MAPK1
SCHEMBL12978094 0.82 HTR6 (0.46) MLNRTRPV1OXTRGALR3MAPK1
SCHEMBL791261 0.81 TRPV1 (0.47) MLNRTRPV1OXTRGALR3MAPK1
SCHEMBL791062 0.81 HRH3 (0.48) MLNRHRH3TRPV1OXTRGALR3
SCHEMBL790963 0.81 TRPV1 (0.46) MLNRHRH3GRM5TRPV1OXTR

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
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C MLNR 3334/4885HRH3 16/4885KCNH2 803/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MLNR 2568/4885HRH3 394/4885KCNH2 50/4885

“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.