SCHEMBL4022123

SCHEMBL4022123

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(Cc2ccccc2)C[C@@H]1c1[c]cccc1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
GRIN2B Q13224 1/20 0.36
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MC4R P32245 3/20 0.34
OPRM1 P35372 1/20 0.33
F10 P00742 7/20 0.33
PRSS1 P07477 3/20 0.33
DRD2 P14416 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL4022033 0.88 KDM2B (0.32) MC4R
SCHEMBL4028221 0.88 KDM2B (0.32) MC4R
SCHEMBL4778094 0.88 KDM2B (0.32)
SCHEMBL4774163 0.87 KDM2B (0.31)
SCHEMBL4026560 0.87 RORC (0.43) RORCGRIN2BALDH1A1HPGDALOX15
SCHEMBL4020367 0.86 KDM2B (0.31)
SCHEMBL4023810 0.85 KDM2B (0.31)
SCHEMBL4022340 0.84 KDM1A (0.31) OPRM1
SCHEMBL4774673 0.84
SCHEMBL4779149 0.83

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 183/4885GRIN2B 4170/4885TBXA2R 1666/4885

“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.