SCHEMBL4024734

SCHEMBL4024734

COCCN1C[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC18A3 Q16572 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
DRD3 P35462 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL4019229 1.00 NTRK1 (0.43) NTRK1KMT2AALDH1A1GAAMEN1
SCHEMBL4774189 1.00 NTRK1 (0.43) NTRK1KMT2AALDH1A1GAAMEN1
SCHEMBL4772340 0.85 KMT2A (0.48) KMT2AALDH1A1MEN1RORCLMNA
SCHEMBL4026119 0.83 SLC18A3 (0.45) KMT2AALDH1A1GAAMEN1RORC
SCHEMBL4024282 0.83 SLC18A3 (0.45) KMT2AALDH1A1GAAMEN1RORC
SCHEMBL4019381 0.82 KMT2A (0.46) KMT2AALDH1A1GAAMEN1RORC
SCHEMBL4026548 0.82 KMT2A (0.46) KMT2AALDH1A1GAAMEN1RORC
SCHEMBL4019373 0.82 KMT2A (0.46) KMT2AALDH1A1GAAMEN1RORC
SCHEMBL4027487 0.82 HRH3 (0.45) KMT2AALDH1A1GAAMEN1RORC
SCHEMBL4028249 0.82 HRH3 (0.45) KMT2AALDH1A1GAAMEN1RORC

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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO 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 NTRK1 3738/4885KMT2A 2820/4885ALDH1A1 258/4885

“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.