SCHEMBL4022084

SCHEMBL4022084

Cc1cccc(C2C(C(=O)c3ccccc3)CN(C(=O)CCO)CC2C(=O)c2ccccc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4019197 0.91 KIF11 (0.39) KIF11ALDH1A1MAPTKMT2ANPC1
SCHEMBL4022426 0.88 BLM (0.43) KIF11ALDH1A1MAPTKMT2ATSHR
SCHEMBL4022428 0.88 BLM (0.43) KIF11ALDH1A1MAPTKMT2ATSHR
SCHEMBL4020457 0.85 KDM4E (0.38) KIF11ALDH1A1MAPTUSP2LMNA
SCHEMBL4020371 0.84 KIF11 (0.45) KIF11ALDH1A1MAPTKMT2AMAPK1
SCHEMBL4772352 0.84 L3MBTL1 (0.37) KIF11ALDH1A1MAPTKMT2AMAPK1
SCHEMBL4780207 0.84 L3MBTL1 (0.37) KIF11ALDH1A1MAPTKMT2AMAPK1
SCHEMBL4020200 0.84 ALDH1A1 (0.44) KIF11ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4775780 0.82 KCNH2 (0.40) KIF11ALDH1A1KMT2ALMNA
SCHEMBL4773635 0.82 KCNH2 (0.40) KIF11ALDH1A1KMT2ALMNA

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US 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 KIF11 3745/4885ALDH1A1 258/4885MAPT 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.