SCHEMBL790149

SCHEMBL790149

CN(C(=O)c1ccc(OC(C)(C)C)nc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.50
▸ OXTR P30559 1/20 0.46
▸ MLYCD O95822 1/20 0.46
▸ NOTUM Q6P988 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 6/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TSHR P16473 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
SCHEMBL791150 0.86 OXTR (0.62) TRPV1OXTRMLYCDNOTUMKDM4E
SCHEMBL791061 0.85 HTT (0.57) TRPV1OXTRMLYCDNOTUMKMT2A
SCHEMBL789630 0.84 TRPV1 (0.57) TRPV1OXTRMLYCDNOTUMKDM4E
SCHEMBL790921 0.82 RAB9A (0.59) TRPV1MLYCDKDM4ERAB9AGALR3
SCHEMBL791129 0.81 LIPE (0.46) TRPV1MLYCDRAB9AGALR3MAPK1
SCHEMBL790740 0.80 TRPV1 (0.57) TRPV1OXTRMLYCDNOTUMKDM4E
SCHEMBL790834 0.80 HSD17B1 (0.52) TRPV1OXTRNOTUMKDM4EKMT2A
SCHEMBL789609 0.80 HSD17B1 (0.52) TRPV1OXTRKDM4EKMT2ARAB9A
SCHEMBL791674 0.79 TRPV1 (0.47) TRPV1OXTRMLYCDNOTUMKDM4E
SCHEMBL790776 0.79 LIPE (0.54) TRPV1OXTRKMT2ARAB9AGALR3

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 6 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
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 — — EP 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 TRPV1 1012/4885OXTR 1398/4885MLYCD 2218/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR TRPV1 2769/4885OXTR 1319/4885MLYCD 654/4885

“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.

Send feedback