SCHEMBL3605615

SCHEMBL3605615

CC(C)(C)OC(=O)N1CC2CN(Cc3nc(Cl)cc(N4CCOCC4)n3)CC2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 4/20 0.39
USP30 Q70CQ3 2/20 0.39
MTOR P42345 2/20 0.39
AKT1 P31749 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
TBK1 Q9UHD2 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CD O00329 2/20 0.38
RECQL P46063 1/20 0.36

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
SCHEMBL13142298 1.00 KCNK3 (0.43) KCNK3KCNK9KMT2AUSP2SMN1; SMN2
SCHEMBL3605618 0.81 KMT2A (0.36) KMT2AUSP2SMN1; SMN2PIK3CAUSP30
SCHEMBL16094599 0.79 PIK3CD (0.44) KMT2AUSP2SMN1; SMN2PIK3CAUSP30
SCHEMBL13119769 0.78 SMN1; SMN2 (0.43) KMT2AUSP2SMN1; SMN2PIK3CAMTOR
SCHEMBL3610408 0.78 RECQL (0.47) KMT2AUSP2SMN1; SMN2MAPTGPR119
SCHEMBL16094656 0.78 RAF1 (0.44) KMT2AUSP2SMN1; SMN2PIK3CAUSP30
SCHEMBL1497347 0.77 TBK1 (0.49) USP2SMN1; SMN2PIK3CAGPR119TBK1
SCHEMBL3997637 0.76 PIK3CA (0.53) KMT2AUSP2SMN1; SMN2PIK3CAMTOR
SCHEMBL18153347 0.76 PIK3CA (0.53) KMT2AUSP2SMN1; SMN2PIK3CAMTOR
SCHEMBL29434915 0.76 PIK3CA (0.53) KMT2AUSP2SMN1; SMN2PIK3CAMTOR

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-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 KCNK3 1515/4885KCNK9 1571/4885KMT2A 3423/4885

“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.