SCHEMBL4027971

SCHEMBL4027971

Cc1cccc(C2C(C(=O)c3ccccc3)CN(CCCN3CCCC3=O)CC2C(=O)c2ccccc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 5/20 0.48
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL4027966 1.00 ADRA1B (0.48) ADRA1BKMT2AALDH1A1LMNAADRA1A
SCHEMBL4024121 0.90 NPC1 (0.43) ADRA1BKMT2AALDH1A1ADRA1AUSP2
SCHEMBL4020789 0.90 NPC1 (0.43) ADRA1BKMT2AALDH1A1ADRA1AUSP2
SCHEMBL4020787 0.90 NPC1 (0.43) ADRA1BKMT2AALDH1A1ADRA1AUSP2
SCHEMBL4772529 0.84 KCNH2 (0.43) KMT2AALDH1A1ADRA1APOLBKCNH2
SCHEMBL4780151 0.84 KCNH2 (0.43) KMT2AALDH1A1ADRA1APOLBKCNH2
SCHEMBL4775780 0.83 KCNH2 (0.40) KMT2AALDH1A1LMNAKCNH2
SCHEMBL4773635 0.83 KCNH2 (0.40) KMT2AALDH1A1LMNAKCNH2
SCHEMBL4894830 0.82 POLB (0.44) KMT2AALDH1A1POLBKCNH2
SCHEMBL4795657 0.82 POLB (0.44) KMT2AALDH1A1POLBKCNH2

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 ADRA1B 4417/4885KMT2A 2820/4885ALDH1A1 258/4885

“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.