SCHEMBL790599

SCHEMBL790599

CCN(C(=O)c1ccc(Oc2cc(C)cc(C)c2)nc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
MLNR O43193 1/20 0.41
MAPT P10636 1/20 0.40
OXTR P30559 5/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
GALR3 O60755 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL789962 0.92 HTT (0.51) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791845 0.91 HTT (0.54) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789288 0.89 HTT (0.52) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL12978170 0.88 HTT (0.56) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL15093128 0.88 HTT (0.53) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791415 0.86 HTT (0.54) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL15093062 0.86 HTT (0.49) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791261 0.86 TRPV1 (0.47) CYP3A4CYP2C9CYP2C19MLNRMAPT
SCHEMBL791898 0.85 HTT (0.53) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL789621 0.85 HTT (0.53) HTTCYP3A4CYP2C9CYP2B6CYP2C19

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTT 1901/4885CYP3A4 642/4885CYP2C9 1710/4885

“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.