SCHEMBL4022602

SCHEMBL4022602

Cc1cccc([C@H]2[CH]CN(CCCN3CCOCC3)C[C@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
AVPR2 P30518 1/20 0.37

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
SCHEMBL4023183 0.97 ALDH1A1 (0.43) POLBALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4027112 0.97 ALDH1A1 (0.43) POLBALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4020571 0.87 KCNH2 (0.35) ALDH1A1KMT2ALMNA
SCHEMBL4027189 0.87 KCNH2 (0.35) ALDH1A1KMT2ALMNA
SCHEMBL4894830 0.86 POLB (0.44) POLBALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4028852 0.86 KCNH2 (0.37) ALDH1A1KMT2ALMNA
SCHEMBL4894834 0.86 POLB (0.44) POLBALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4795657 0.86 POLB (0.44) POLBALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4026061 0.86 KIF11 (0.43) ALDH1A1KMT2AMEN1LMNA
SCHEMBL4027448 0.85 KDM2B (0.37) ALDH1A1KMT2AMEN1LMNA

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 POLB 655/4885ALDH1A1 258/4885KMT2A 2820/4885

“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.