SCHEMBL4022089

SCHEMBL4022089

CNCCNC(=O)CN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
DRD4 P21917 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 6/20 0.32
MEN1 O00255 5/20 0.32
MGLL Q99685 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM2B Q8NHM5 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
CYP2C9 P11712 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL4022103 1.00 TSHR (0.34) TSHRDRD4ALDH1A1KMT2AMEN1
SCHEMBL4023480 0.92 DRD4 (0.35) TSHRDRD4ALDH1A1KMT2AMEN1
SCHEMBL4023484 0.92 DRD4 (0.35) TSHRDRD4ALDH1A1KMT2AMEN1
SCHEMBL4019455 0.90 DRD4 (0.37) DRD4ALDH1A1KMT2AMEN1MGLL
SCHEMBL4019453 0.90 DRD4 (0.37) DRD4ALDH1A1KMT2AMEN1MGLL
SCHEMBL4019460 0.90 EED (0.36) TSHRDRD4ALDH1A1MGLLPOLB
SCHEMBL4019451 0.90 EED (0.36) TSHRDRD4ALDH1A1MGLLPOLB
SCHEMBL4029451 0.88 CARM1 (0.37) KMT2AMEN1MGLLKDM2B
SCHEMBL4024736 0.86 DRD3 (0.34) DRD4ALDH1A1KMT2AMEN1KDM2B
SCHEMBL4021552 0.86 DRD3 (0.36) DRD4KMT2AMEN1KDM2B

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 TSHR 4351/4885DRD4 2983/4885ALDH1A1 258/4885

“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.