SCHEMBL4297927

SCHEMBL4297927

CC(C)(C)OC(=O)N1CCC(N2CCNC(C(=O)N3CCOCC3)C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.59
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.43
PIK3CA P42336 4/20 0.42
LMNA P02545 2/20 0.40
USP30 Q70CQ3 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CG P48736 3/20 0.38
PIK3CD O00329 2/20 0.38
PIK3R2 O00459 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3R5 Q8WYR1 2/20 0.38
PIK3R3 Q92569 2/20 0.38
MTOR P42345 1/20 0.38
ATR Q13535 1/20 0.38
AURKB Q96GD4 1/20 0.38
EPHX1 P07099 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
SCHEMBL4292000 0.82 CCR2 (0.43) LMNACCR2KCNH2KDM4E
SCHEMBL6183048 0.81 RECQL (0.70) RECQLUSP2SMN1; SMN2HPGDPIK3CA
SCHEMBL6603588 0.80 HPGD (0.46) RECQLUSP2SMN1; SMN2HPGDGPR119
SCHEMBL3212775 0.79 USP2 (0.68) RECQLUSP2SMN1; SMN2HPGDPIK3CA
SCHEMBL4298110 0.77 RECQL (0.55) RECQLUSP2SMN1; SMN2HPGDPIK3CA
SCHEMBL20116984 0.75 RECQL (1.00) RECQLUSP2SMN1; SMN2HPGDLMNA
SCHEMBL13732415 0.74 RECQL (0.51) RECQLUSP2SMN1; SMN2HPGDPIK3CA
SCHEMBL24033277 0.74 RECQL (0.59) RECQLUSP2SMN1; SMN2HPGDPIK3CA
SCHEMBL5647254 0.74 HPGD (0.55) RECQLUSP2SMN1; SMN2HPGDEPHX1
SCHEMBL23471360 0.74 RECQL (0.67) RECQLUSP2SMN1; SMN2HPGDLMNA

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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 EP 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 RECQL 2761/4885USP2 2796/4885SMN1; SMN2 438/4885

“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.