SCHEMBL4020295

SCHEMBL4020295

Cc1cccnc1[C@H]1[CH]CN(CCO)C[C@@H]1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
DRD4 P21917 3/20 0.34
RORC P51449 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
METAP1 P53582 3/20 0.33
SLC6A1 P30531 1/20 0.32
HTR1A P08908 1/20 0.32
ALOX5AP P20292 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
SCHEMBL4028267 0.84 L3MBTL1 (0.36) RORCL3MBTL1ALDH1A1SLC6A1
SCHEMBL4024600 0.81 L3MBTL1 (0.34) RORCL3MBTL1ALDH1A1SLC6A1
SCHEMBL4026679 0.81 L3MBTL1 (0.34) RORCL3MBTL1ALDH1A1SLC6A1
SCHEMBL4028142 0.80 RORC (0.39) RORCALDH1A1
SCHEMBL4026859 0.78 HTR1A (0.36) DRD4RORCL3MBTL1ALDH1A1LMNA
SCHEMBL4021193 0.77 ALDH1A1 (0.37) RORCALDH1A1
SCHEMBL4027189 0.75 KCNH2 (0.35) RORCALDH1A1LMNASLC6A1
SCHEMBL4020571 0.75 KCNH2 (0.35) RORCALDH1A1LMNASLC6A1
SCHEMBL4028852 0.74 KCNH2 (0.37) RORCALDH1A1LMNA
SCHEMBL4022920 0.74 RORC (0.40) RORC

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 PDE10A 2800/4885DRD4 2983/4885RORC 183/4885

“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.