SCHEMBL4025178

SCHEMBL4025178

Cc1cccc([C@H]2[CH]CN(CCCN(C)C)C[C@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
ACHE P22303 1/20 0.36
GRIN2B Q13224 1/20 0.36
P2RX7 Q99572 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 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
SCHEMBL4019022 0.94 KIF11 (0.37) KIF11ACHEP2RX7HRH3ALDH1A1
SCHEMBL4025183 0.94 KIF11 (0.37) KIF11ACHEP2RX7HRH3ALDH1A1
SCHEMBL4027189 0.89 KCNH2 (0.35) KIF11KCNH2HTR2AHTR2CALDH1A1
SCHEMBL4020571 0.89 KCNH2 (0.35) KIF11KCNH2HTR2AHTR2CALDH1A1
SCHEMBL4028852 0.88 KCNH2 (0.37) KIF11KCNH2HTR2AHTR2CSLC6A4
SCHEMBL4026061 0.88 KIF11 (0.43) KIF11KCNH2HTR2AHTR2CALDH1A1
SCHEMBL4027448 0.87 KDM2B (0.37) KIF11KCNH2ALDH1A1LMNAKMT2A
SCHEMBL4024600 0.87 L3MBTL1 (0.34) KIF11KCNH2HTR2AALDH1A1KMT2A
SCHEMBL4026679 0.87 L3MBTL1 (0.34) KIF11KCNH2HTR2AALDH1A1KMT2A
SCHEMBL4778087 0.86 KIF11 (0.47) KIF11ACHEGRIN2BP2RX7HRH3

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 KIF11 3745/4885ACHE 2619/4885GRIN2B 4170/4885

“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.