SCHEMBL789607

SCHEMBL789607

CN(C(=O)c1ccc(N2CCCC2)nc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
UBE2T Q9NPD8 1/20 0.45
MLNR O43193 1/20 0.43
MCHR1 Q99705 1/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
MLYCD O95822 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 2/20 0.41
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 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
SCHEMBL791973 0.99 TRPV1 (0.48) TRPV1UBE2TMLNRMCHR1KMT2A
SCHEMBL789922 0.90 ALDH1A1 (0.53) TRPV1MLNRRAB9AHSD17B10KDM4E
SCHEMBL791262 0.85 HTT (0.56) TRPV1UBE2TKMT2ARAB9AHSD17B10
SCHEMBL790999 0.84 HTT (0.55) TRPV1UBE2TMCHR1KMT2ARAB9A
SCHEMBL790740 0.79 TRPV1 (0.57) TRPV1KMT2ARAB9AMLYCDHSD17B10
SCHEMBL790737 0.77 TRPV1 (0.55) TRPV1KMT2ARAB9AMLYCDHSD17B10
SCHEMBL789619 0.76 HTT (0.53) HSD17B10KDM4EALDH1A1HPGDPOLB
SCHEMBL791150 0.75 OXTR (0.62) TRPV1KMT2ARAB9AMLYCDHSD17B10
SCHEMBL789948 0.75 TRPV1 (0.53) TRPV1KMT2ARAB9AMLYCDHSD17B10
SCHEMBL23929986 0.74 UBE2T (0.45) UBE2TMLNRMCHR1KMT2ARAB9A

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 TRPV1 1012/4885UBE2T 1782/4885MLNR 3334/4885

“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.