SCHEMBL4020571

SCHEMBL4020571

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 4/20 0.33
RORC P51449 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A1 P30531 1/20 0.32
TSHR P16473 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
SCHEMBL4027189 1.00 KCNH2 (0.35) KCNH2ALDH1A1LMNAKMT2AKIF11
SCHEMBL4028852 0.97 KCNH2 (0.37) KCNH2ALDH1A1LMNAKMT2AKIF11
SCHEMBL4026679 0.94 L3MBTL1 (0.34) KCNH2ALDH1A1KMT2AKIF11RORC
SCHEMBL4024600 0.94 L3MBTL1 (0.34) KCNH2ALDH1A1KMT2AKIF11RORC
SCHEMBL4026061 0.91 KIF11 (0.43) KCNH2ALDH1A1LMNAKMT2AKIF11
SCHEMBL4027448 0.89 KDM2B (0.37) KCNH2ALDH1A1LMNAKMT2AKIF11
SCHEMBL4025178 0.89 KIF11 (0.45) KCNH2ALDH1A1LMNAKMT2AKIF11
SCHEMBL4026766 0.88 KIF11 (0.41) KCNH2ALDH1A1LMNAKMT2AKIF11
SCHEMBL4021821 0.88 KIF11 (0.41) KCNH2ALDH1A1LMNAKMT2AKIF11
SCHEMBL4022602 0.87 POLB (0.41) ALDH1A1LMNAKMT2A

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 KCNH2 3099/4885ALDH1A1 258/4885LMNA 315/4885

“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.