SCHEMBL790676

SCHEMBL790676

Cc1cc(C)nc(Oc2ccc(C(=O)N(C)c3cccnc3)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
OXTR P30559 1/20 0.42
NOTUM Q6P988 1/20 0.42
HSD17B10 Q99714 4/20 0.41
HTR2C P28335 2/20 0.40
MLYCD O95822 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
GALR3 O60755 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.38
EGFR P00533 1/20 0.38
PRKCA P17252 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL790703 0.88 OXTR (0.49) TRPV1OXTRNOTUMHSD17B10HTR2C
SCHEMBL12978162 0.86 HTT (0.52) TRPV1OXTRNOTUMALDH1A1KMT2A
SCHEMBL12978158 0.85 TRPV1 (0.51) TRPV1NOTUMMLYCDKDM4EALDH1A1
SCHEMBL791261 0.83 TRPV1 (0.47) TRPV1OXTRNOTUMHSD17B10HTR2C
SCHEMBL791850 0.83 TRPV1 (0.47) TRPV1OXTRNOTUMHSD17B10HTR2C
SCHEMBL790834 0.82 HSD17B1 (0.52) TRPV1OXTRNOTUMKDM4EALDH1A1
SCHEMBL12978094 0.82 HTR6 (0.46) TRPV1OXTRNOTUMKDM4EALDH1A1
SCHEMBL789965 0.82 HSD17B1 (0.57) TRPV1OXTRNOTUMHTR2CRAB9A
SCHEMBL12978179 0.81 HSD17B2 (0.45) TRPV1NOTUMMLYCDALDH1A1KMT2A
SCHEMBL791027 0.81 NOTUM (0.58) TRPV1OXTRNOTUMHSD17B10HTR2C

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 TRPV1 1012/4885OXTR 1398/4885NOTUM 2669/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR TRPV1 2769/4885OXTR 1319/4885NOTUM 945/4885

“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.