SCHEMBL4024282

SCHEMBL4024282

O=C(c1ccccc1)[C@H]1CN(CCO)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.45
RORC P51449 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.38
MC4R P32245 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4026119 1.00 SLC18A3 (0.45) SLC18A3RORCKMT2AMEN1ALDH1A1
SCHEMBL4020589 0.92 RORC (0.43) SLC18A3RORCKMT2AMEN1ALDH1A1
SCHEMBL4776685 0.92 RORC (0.43) SLC18A3RORCKMT2AMEN1ALDH1A1
SCHEMBL4019373 0.87 KMT2A (0.46) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL4026548 0.87 KMT2A (0.46) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL4772340 0.87 KMT2A (0.48) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL4019381 0.87 KMT2A (0.46) RORCKMT2AMEN1ALDH1A1LMNA
SCHEMBL4772429 0.85 RORC (0.42) SLC18A3RORCKMT2AMEN1HTR2A
SCHEMBL4751331 0.84 F2R (0.41) SLC18A3RORCKMT2AMEN1ALDH1A1
SCHEMBL4772338 0.83 HRH3 (0.45) RORCKMT2AMEN1ALDH1A1LMNA

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 disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO 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 SLC18A3 2628/4885RORC 183/4885KMT2A 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.