SCHEMBL4022920

SCHEMBL4022920

CCc1cccc([C@H]2[CH]CN(CCO)C[C@@H]2C(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
SLC18A3 Q16572 1/20 0.34
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4772429 0.86 RORC (0.42) RORCMEN1KMT2ASLC6A2SLC6A4
SCHEMBL4028142 0.83 RORC (0.39) RORCMEN1KMT2AKDM2BSLC18A3
SCHEMBL4028267 0.80 L3MBTL1 (0.36) RORCMEN1KMT2ASLC6A2SLC6A3
SCHEMBL4019955 0.79 RORC (0.57) RORCMEN1KMT2AHTR2A
SCHEMBL4019459 0.79 RORC (0.57) RORCMEN1KMT2AHTR2A
SCHEMBL4780139 0.78 HRH3 (0.42) RORCMEN1KMT2AHTR2AKCNH2
SCHEMBL4021517 0.78 HRH3 (0.42) RORCMEN1KMT2AHTR2AKCNH2
SCHEMBL4026679 0.77 L3MBTL1 (0.34) RORCMEN1KMT2AHTR2AKCNH2
SCHEMBL4024600 0.77 L3MBTL1 (0.34) RORCMEN1KMT2AHTR2AKCNH2
SCHEMBL4751332 0.77 DRD3 (0.46) RORCMEN1KMT2AHTR2AKDM2B

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.