SCHEMBL790147

SCHEMBL790147

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
OXTR P30559 13/20 0.48
AVPR1A P37288 3/20 0.48
AVPR2 P30518 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
NNMT P40261 1/20 0.46
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL789977 0.90 HTT (0.61) HTTOXTRAVPR1AAVPR2CYP3A4
SCHEMBL791415 0.89 HTT (0.54) HTTOXTRCYP3A4CYP2C9CYP2B6
SCHEMBL790954 0.88 HTT (0.51) HTTOXTRAVPR1AAVPR2CYP3A4
SCHEMBL791061 0.87 HTT (0.57) HTTOXTRAVPR1AAVPR2CYP3A4
SCHEMBL12978170 0.86 HTT (0.56) HTTOXTRAVPR1AAVPR2CYP3A4
SCHEMBL791051 0.85 HTT (0.50) HTTOXTRAVPR1AAVPR2CYP3A4
SCHEMBL790234 0.85 HTT (0.67) HTTCYP3A4CYP2C9CYP2B6CYP2C19
SCHEMBL791845 0.84 HTT (0.54) HTTOXTRCYP3A4CYP2C9CYP2B6
SCHEMBL791150 0.84 OXTR (0.62) HTTOXTRAVPR1ACYP3A4CYP2C9
SCHEMBL13095774 0.84 HTT (0.65) 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 1901/4885OXTR 1398/4885AVPR1A 996/4885

“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.