SCHEMBL4023480

SCHEMBL4023480

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(CC(=O)NCCN)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MGLL Q99685 1/20 0.32
KDM2B Q8NHM5 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 3/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4023484 1.00 DRD4 (0.35) DRD4ALDH1A1TSHRKMT2AMEN1
SCHEMBL4022103 0.92 TSHR (0.34) DRD4ALDH1A1TSHRKMT2AMEN1
SCHEMBL4022089 0.92 TSHR (0.34) DRD4ALDH1A1TSHRKMT2AMEN1
SCHEMBL4019451 0.90 EED (0.36) DRD4ALDH1A1TSHRMGLLKDM4E
SCHEMBL4019460 0.90 EED (0.36) DRD4ALDH1A1TSHRMGLLKDM4E
SCHEMBL4019455 0.89 DRD4 (0.37) DRD4ALDH1A1KMT2AMEN1MGLL
SCHEMBL4019453 0.89 DRD4 (0.37) DRD4ALDH1A1KMT2AMEN1MGLL
SCHEMBL4019762 0.87 MEN1 (0.37) DRD4ALDH1A1KMT2AMEN1MGLL
SCHEMBL4019759 0.87 MEN1 (0.37) DRD4ALDH1A1KMT2AMEN1MGLL
SCHEMBL4024525 0.86 MEN1 (0.35) ALDH1A1KMT2AMEN1MGLLKDM2B

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 2983/4885ALDH1A1 258/4885TSHR 4351/4885

“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.