SCHEMBL4022170

SCHEMBL4022170

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCN(S(C)(=O)=O)CC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ASH1L Q9NR48 1/20 0.35
MGLL Q99685 1/20 0.35
KDM2B Q8NHM5 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34

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
SCHEMBL4022671 0.95 NPSR1 (0.39) NPSR1TSHRSMN1; SMN2PIK3CDPIK3CA
SCHEMBL4018836 0.89 GRIN1 (0.38) MEN1KMT2AMGLLKDM2BGRIN1
SCHEMBL4019979 0.88 GAA (0.40) NPSR1SMN1; SMN2KMT2AKDM4EMGLL
SCHEMBL4749392 0.86 MGLL (0.36) MEN1KMT2AMGLLKDM2BGRIN1
SCHEMBL4021646 0.85 MC4R (0.36) MEN1KMT2AMGLLKDM2BRAB9A
SCHEMBL4022812 0.85 HTR6 (0.35) MGLLKDM2B
SCHEMBL4025296 0.85 MGLL (0.35) MEN1KMT2AMGLLKDM2BRAB9A
SCHEMBL4752891 0.84 ABL1 (0.37) MEN1KMT2AMGLLKDM2BGRIN1
SCHEMBL4021748 0.84 MGLL (0.39) MGLLGRIN1GRIN2B
SCHEMBL4021759 0.84 MGLL (0.39) MGLLGRIN1GRIN2B

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 3 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-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 NPSR1 3414/4885TSHR 4351/4885SMN1; SMN2 3134/4885

“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.