SCHEMBL103380

SCHEMBL103380

CC(C)(C)OC(=O)N1CCN(CCCc2ccnc(C(=O)O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.50
SIGMAR1 Q99720 4/20 0.48
ACHE P22303 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
TLR8 Q9NR97 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
OPRM1 P35372 1/20 0.43
TBK1 Q9UHD2 4/20 0.42
EPHX2 P34913 3/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL27197786 0.94 ACKR3 (0.47) ACKR3ACHEGPR119TBK1POLB
SCHEMBL1742604 0.87 ACKR3 (0.51) ACKR3SIGMAR1TLR8ADORA3HTR2A
SCHEMBL24541956 0.83 ACKR3 (0.46) ACKR3ACHEGPR119TBK1POLB
SCHEMBL7971782 0.81 SIGMAR1 (0.69) ACKR3SIGMAR1ADORA3HTR2AHTR7
SCHEMBL31752794 0.80 SIGMAR1 (0.56) ACKR3SIGMAR1TLR8ADORA3HTR2A
SCHEMBL1742612 0.78 ACKR3 (0.49) ACKR3SIGMAR1TLR8ADORA3HTR2A
SCHEMBL30812306 0.78 SIGMAR1 (0.54) ACKR3SIGMAR1ADORA3HTR2AHTR7
SCHEMBL27980806 0.78 SIGMAR1 (0.54) ACKR3SIGMAR1ADORA3HTR2AHTR7
SCHEMBL24541948 0.77 GPR119 (0.44) ACKR3SIGMAR1ACHEGPR119TBK1
SCHEMBL1744477 0.77 SIGMAR1 (0.50) ACKR3SIGMAR1GPR119TLR8ADORA3

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 ACKR3 39/4885SIGMAR1 1187/4885ACHE 2296/4885

“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.