SCHEMBL4028137

SCHEMBL4028137

CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccccc2I)[C@@H](C(=O)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
KCNH2 Q12809 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
DRD4 P21917 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRIN2B Q13224 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL4028139 1.00 RORC (0.37) RORCKCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL4021774 0.91 RORC (0.34) RORCKCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL4021771 0.91 RORC (0.34) RORCKCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL4026439 0.87 TERT (0.40) RORCKCNH2MEN1KMT2A
SCHEMBL4025031 0.87 LMNA (0.37) RORCKCNH2MEN1KMT2AKDM4E
SCHEMBL4025032 0.87 LMNA (0.37) RORCKCNH2MEN1KMT2AKDM4E
SCHEMBL4026443 0.87 TERT (0.40) RORCKCNH2MEN1KMT2A
SCHEMBL4774556 0.87 MEN1 (0.39) RORCKCNH2MEN1KMT2ADRD4
SCHEMBL4774550 0.87 MEN1 (0.39) RORCKCNH2MEN1KMT2ADRD4
SCHEMBL4021029 0.86 KMT2A (0.44) RORCMEN1KMT2AKDM4EGRIN2B

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 RORC 183/4885KCNH2 3099/4885MEN1 77/4885

“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.