SCHEMBL4239097

SCHEMBL4239097

CCC(CC)NC(=O)Nc1cccc(Oc2ccc(N)cc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
S1PR2 O95136 1/20 0.43
CDK8 P49336 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
DDX3X O00571 2/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4233459 0.88 PKM (0.57) PKMTAS1R3TAS1R1MEN1MAPT
Ammonia Solution, Strong SCHEMBL4233431 0.87 PKM (0.56) PKMTAS1R3TAS1R1MEN1MAPT
SCHEMBL4228260 0.85 PKM (0.54) PKMTAS1R3TAS1R1MEN1MAPT
SCHEMBL4227907 0.83 MEN1 (0.55) PKMDDX3XMEN1MAPTKMT2A
SCHEMBL4237685 0.83 PKM (0.51) PKMTAS1R3TAS1R1MEN1MAPT
SCHEMBL5184118 0.82 PKM (0.53) PKMTAS1R3TAS1R1MEN1MAPT
SCHEMBL4233787 0.81 PKM (0.56) PKMTAS1R3TAS1R1KDRRAB9A
SCHEMBL4787593 0.81 EPHX1 (0.54) PKMKMT2AHTTALDH1A1
SCHEMBL4242160 0.80 PKM (0.46) PKMTAS1R3TAS1R1MEN1MAPT
SCHEMBL5149580 0.80 PKM (0.53) PKMTAS1R3TAS1R1MEN1MAPT

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
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R PKM 1734/4885S1PR2 339/4885CDK8 2470/4885

“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.