SCHEMBL103160

SCHEMBL103160

CC1C(=O)NC(=O)N1c1ccc2occc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
MMP2 P08253 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
LPAR5 Q9H1C0 2/20 0.34
CHRNA7 P36544 3/20 0.33
ACHE P22303 2/20 0.33
CA2 P00918 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
HTR1B P28222 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL105139 0.89 KDM4E (0.36) CYP2A6CHRNA7ACHEHTR1BKDM4E
SCHEMBL16140613 0.69 CYP2A6 (0.43) CYP2A6MMP2ADAMTS5DRD2DRD3
SCHEMBL850280 0.69 TSHR (0.43) CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL8465310 0.68 HSD11B1 (0.47)
SCHEMBL3109771 0.68 GAA (0.46) CYP2C9MAOACYP2C19
SCHEMBL8922125 0.68 GAA (0.46) CYP2C9MAOACYP2C19
SCHEMBL5749221 0.65 MAPT (0.44) CYP2A6CHRNA7DYRK1A
SCHEMBL2246975 0.65 MAPT (0.44) CYP2A6CHRNA7DYRK1A
SCHEMBL17543405 0.64 PHGDH (0.44) CYP2A6MMP2ADAMTS5DRD2DRD3
SCHEMBL9644515 0.62 DRD2 (0.37) CYP2A6MMP2ADAMTS5DRD2DRD3

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CYP2A6 1960/4885MMP2 2214/4885ADAMTS5 4612/4885

“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.