SCHEMBL4023583

SCHEMBL4023583

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccccn2)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.41
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
GRIN2B Q13224 4/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
GRM4 Q14833 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4023587 1.00 EED (0.41) EEDNPC1MAPTRAB9ACYP3A4
SCHEMBL4749426 0.90 EED (0.42) EEDGRIN2BCCNT1CDK9
SCHEMBL4749424 0.90 EED (0.42) EEDGRIN2BCCNT1CDK9
SCHEMBL4025206 0.89 NPC1 (0.38) EEDNPC1MAPTRAB9ACYP3A4
SCHEMBL4025211 0.89 NPC1 (0.38) EEDNPC1MAPTRAB9ACYP3A4
SCHEMBL4019675 0.87 NPC1 (0.36) NPC1MAPTRAB9ACYP3A4CYP2C9
SCHEMBL4019678 0.87 NPC1 (0.36) NPC1MAPTRAB9ACYP3A4CYP2C9
SCHEMBL4019982 0.85 KMT2A (0.39) EEDNPC1RAB9AGRIN2BLMNA
SCHEMBL4019987 0.85 KMT2A (0.39) EEDNPC1RAB9AGRIN2BLMNA
SCHEMBL4019577 0.84 EED (0.37) EEDCYP3A4CYP2C9CCNT1CDK9

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 6 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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US 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 EED 1022/4885NPC1 263/4885MAPT 3009/4885

“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.