SCHEMBL4022773

SCHEMBL4022773

O=C(c1ccccc1)C1CN(Cc2ccccc2)CC(C(=O)c2ccccc2)C1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.64
S1PR5 Q9H228 3/20 0.49
S1PR1 P21453 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
EP300 Q09472 1/20 0.48
FUCA1 P04066 2/20 0.47
GRIN2B Q13224 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL4772415 1.00 RORC (0.64) RORCS1PR5S1PR1ALDH1A1MEN1
SCHEMBL4792902 0.93 RORC (0.58) RORCS1PR5S1PR1ALDH1A1MEN1
SCHEMBL6998474 0.89 RORC (0.68) RORCS1PR5S1PR1ALDH1A1MEN1
SCHEMBL16033505 0.87 RORC (0.83) RORCS1PR5S1PR1ALDH1A1MEN1
SCHEMBL4772392 0.86 RORC (0.51) RORCALDH1A1MEN1KMT2A
SCHEMBL5478531 0.82 RORC (0.61) RORCS1PR5S1PR1ALDH1A1MEN1
SCHEMBL4024282 0.82 SLC18A3 (0.45) RORCALDH1A1MEN1LMNAMAPK1
SCHEMBL5478523 0.82 RORC (0.61) RORCS1PR5S1PR1ALDH1A1MEN1
SCHEMBL5478527 0.82 RORC (0.61) RORCS1PR5S1PR1ALDH1A1MEN1
SCHEMBL4026119 0.82 SLC18A3 (0.45) RORCALDH1A1MEN1LMNAMAPK1

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 183/4885S1PR5 3351/4885S1PR1 2979/4885

“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.