SCHEMBL790703

SCHEMBL790703

COc1cc(OC)nc(Oc2ccc(C(=O)N(C)c3cccnc3)cn2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.49
TRPV1 Q8NER1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MLYCD O95822 1/20 0.39
NOTUM Q6P988 1/20 0.39
NNMT P40261 1/20 0.38
HTR2C P28335 1/20 0.38
AVPR1A P37288 1/20 0.37
GALR3 O60755 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL790676 0.88 TRPV1 (0.46) OXTRTRPV1SMN1; SMN2HSD17B10RAB9A
SCHEMBL791150 0.88 OXTR (0.62) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL12978144 0.87 SMN1; SMN2 (0.52) OXTRTRPV1SMN1; SMN2HSD17B10RAB9A
SCHEMBL790954 0.87 HTT (0.51) OXTRSMN1; SMN2AVPR1AKDM4E
SCHEMBL791302 0.86 OXTR (0.46) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL789609 0.84 HSD17B1 (0.52) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL12978175 0.83 HSD17B2 (0.46) OXTRTRPV1SMN1; SMN2HSD17B1HSD17B2
SCHEMBL12978085 0.83 HSD17B1 (0.54) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL12978147 0.81 TRPV1 (0.43) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL12978094 0.81 HTR6 (0.46) OXTRTRPV1SMN1; SMN2RAB9ANPC1

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 OXTR 1398/4885TRPV1 1012/4885SMN1; SMN2 1928/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR OXTR 1319/4885TRPV1 2769/4885SMN1; SMN2 2519/4885

“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.