SCHEMBL791973

SCHEMBL791973

CN(C(=O)c1ccc(N2CCCCC2)nc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
MCHR1 Q99705 1/20 0.45
UBE2T Q9NPD8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
MLNR O43193 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
WNT1 P04628 1/20 0.42
DYRK1A Q13627 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 3/20 0.42
CNR2 P34972 2/20 0.42

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
SCHEMBL789607 0.99 TRPV1 (0.49) TRPV1MCHR1UBE2TALDH1A1HSD17B10
SCHEMBL789922 0.89 ALDH1A1 (0.53) TRPV1ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL790999 0.85 HTT (0.55) TRPV1MCHR1UBE2TALDH1A1HSD17B10
SCHEMBL791262 0.84 HTT (0.56) TRPV1UBE2TALDH1A1HSD17B10HPGD
SCHEMBL790740 0.79 TRPV1 (0.57) TRPV1ALDH1A1HSD17B10KDM4EALOX15
SCHEMBL790737 0.76 TRPV1 (0.55) TRPV1ALDH1A1HSD17B10KDM4EALOX15
SCHEMBL789619 0.75 HTT (0.53) ALDH1A1HSD17B10HPGDKDM4EPOLB
SCHEMBL789948 0.74 TRPV1 (0.53) TRPV1ALDH1A1HSD17B10KDM4EALOX15
SCHEMBL791150 0.74 OXTR (0.62) TRPV1ALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL789964 0.74 SMN1; SMN2 (0.61) MCHR1ALDH1A1SMN1; SMN2RAB9ANPC1

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 1012/4885MCHR1 1057/4885UBE2T 1782/4885

“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.