SCHEMBL4026061

SCHEMBL4026061

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
KCNH2 Q12809 2/20 0.35
CHRM1 P11229 1/20 0.34
KMT2A Q03164 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SYK P43405 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
SMYD2 Q9NRG4 1/20 0.32
HTR2B P41595 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
SCHEMBL4021821 0.94 KIF11 (0.41) KIF11KCNH2KMT2AHTR2AHTR2C
SCHEMBL4026766 0.94 KIF11 (0.41) KIF11KCNH2KMT2AHTR2AHTR2C
SCHEMBL4020571 0.91 KCNH2 (0.35) KIF11KCNH2KMT2AHTR2AHTR2C
SCHEMBL4027189 0.91 KCNH2 (0.35) KIF11KCNH2KMT2AHTR2AHTR2C
SCHEMBL4028852 0.90 KCNH2 (0.37) KIF11KCNH2KMT2AHTR2AHTR2C
SCHEMBL4026679 0.89 L3MBTL1 (0.34) KIF11KCNH2KMT2AHTR2AALDH1A1
SCHEMBL4027448 0.89 KDM2B (0.37) KIF11KCNH2KMT2AALDH1A1LMNA
SCHEMBL4024600 0.89 L3MBTL1 (0.34) KIF11KCNH2KMT2AHTR2AALDH1A1
SCHEMBL4025178 0.88 KIF11 (0.45) KIF11KCNH2KMT2AHTR2AHTR2C
SCHEMBL4022602 0.86 POLB (0.41) KMT2AALDH1A1LMNAMEN1

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 3745/4885KCNH2 3099/4885CHRM1 4249/4885

“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.