SCHEMBL4021407

SCHEMBL4021407

CN(C)CCN1C[C@H](C(=O)c2ccccc2)C(c2ccccc2)[C@H](c2ccc(C(=O)c3ccc([C@@H]4CN(CCN(C)C)C[C@H](C(=O)c5ccccc5)C4c4ccccc4)cc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
KDM1A O60341 1/20 0.36

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
SCHEMBL4018682 1.00 RORC (0.45) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL4772338 0.88 HRH3 (0.45) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL13721498 0.88 HRH3 (0.45) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL4027487 0.88 HRH3 (0.45) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL4027493 0.88 HRH3 (0.45) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL4028249 0.88 HRH3 (0.45) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL4777699 0.76 MEN1 (0.45) RORCMEN1KMT2AHRH3ALDH1A1
SCHEMBL4021517 0.75 HRH3 (0.42) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL4780139 0.75 HRH3 (0.42) RORCMEN1KMT2ASIGMAR1HRH3
SCHEMBL4772340 0.74 KMT2A (0.48) RORCMEN1KMT2AHRH3ALDH1A1

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 2 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 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 RORC 183/4885MEN1 77/4885KMT2A 2820/4885

“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.