SCHEMBL5640967

SCHEMBL5640967

CC(C)(C)OC(=O)NC1(c2ccc(I)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
DRD2 P14416 5/20 0.39
PDE2A O00408 3/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
RORC P51449 1/20 0.36
AKT2 P31751 1/20 0.36
OPRM1 P35372 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LPAR1 Q92633 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL18551335 0.86 MIF (0.46) AKT1DRD2PDE2ACNR1CNR2
SCHEMBL4087871 0.85 AKT1 (0.43) AKT1DRD2PDE2ACNR1CNR2
SCHEMBL2588632 0.85 NPC1 (0.47) AKT1DRD2PDE2ARORCAKT2
SCHEMBL14236180 0.85 AKT1 (0.43) AKT1DRD2PDE2ACNR1CNR2
SCHEMBL12196127 0.85 DRD2 (0.53) AKT1DRD2PDE2ACNR1CNR2
SCHEMBL2554955 0.84 AKT1 (0.47) AKT1CNR1CNR2AKT2
SCHEMBL7588830 0.84 F10 (0.43) AKT1DRD2PDE2AOPRM1
SCHEMBL2503772 0.84 MAPT (0.48) AKT1DRD2AKT2
SCHEMBL25156379 0.82 AKT1 (0.51) AKT1DRD2PDE2ACNR1CNR2
SCHEMBL22918214 0.82 AKT1 (0.42) AKT1DRD2PDE2ACNR1CNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105531264-B Antibacterial 2H-indazole derivatives 爱杜西亚药品有限公司 2018-04-10 CN disclosed
CN-105531264-A Antibacterial 2H-indazole derivatives ACTELION PHARMACEUTICALS LTD 2016-04-27 CN disclosed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP disclosed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT AKT1 3312/4885DRD2 3949/4885PDE2A 680/4885

“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.