SCHEMBL4019455

SCHEMBL4019455

CNC(=O)CN1CC(C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)C(C(=O)c2cccc(O)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.37
MGLL Q99685 2/20 0.34
KDM2B Q8NHM5 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GRIN2B Q13224 2/20 0.32
GRIN1 Q05586 1/20 0.32
ALDH1A1 P00352 4/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
CYP2D6 P10635 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL4019453 1.00 DRD4 (0.37) DRD4MGLLKDM2BMEN1KMT2A
SCHEMBL4022089 0.90 TSHR (0.34) DRD4MGLLKDM2BMEN1KMT2A
SCHEMBL4022103 0.90 TSHR (0.34) DRD4MGLLKDM2BMEN1KMT2A
SCHEMBL4023480 0.89 DRD4 (0.35) DRD4MGLLKDM2BMEN1KMT2A
SCHEMBL4023484 0.89 DRD4 (0.35) DRD4MGLLKDM2BMEN1KMT2A
SCHEMBL4019762 0.88 MEN1 (0.37) DRD4MGLLKDM2BMEN1KMT2A
SCHEMBL4019759 0.88 MEN1 (0.37) DRD4MGLLKDM2BMEN1KMT2A
SCHEMBL4022383 0.88 KDM2B (0.43) DRD4KDM2BMEN1KMT2AGRIN2B
SCHEMBL4022380 0.88 KDM2B (0.43) DRD4KDM2BMEN1KMT2AGRIN2B
SCHEMBL4024477 0.87 ABL1 (0.37) MGLLKDM2BMEN1KMT2AGRIN2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 DRD4 2983/4885MGLL 2929/4885KDM2B 3090/4885

“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.