SCHEMBL105867

SCHEMBL105867

CC(C)(C)OC(=O)N1CCN(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2I)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
RORC P51449 4/20 0.43
ACHE P22303 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
BACE1 P56817 2/20 0.41
SLC2A1 P11166 1/20 0.41
PDK2 Q15119 1/20 0.41
GRM5 P41594 2/20 0.41
P2RX7 Q99572 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL104461 0.89 SMARCA2 (0.46) TACR1RORCACHETLR9TLR7
SCHEMBL103004 0.86 MAPT (0.49) TACR1RORC
SCHEMBL168097 0.85 SLC2A1 (0.44) TACR1RORCACHETLR9TLR7
SCHEMBL168096 0.85 SLC2A1 (0.44) TACR1RORCACHETLR9TLR7
SCHEMBL103956 0.81 GPR119 (0.42) TACR1RORCPDK2GPR119
SCHEMBL132842 0.77 GRM5 (0.42) RORCGRM5
SCHEMBL103872 0.76 SMARCA2 (0.43) TACR1RORCSLC2A1PDK2GPR119
SCHEMBL103871 0.76 SMARCA2 (0.43) TACR1RORCSLC2A1PDK2GPR119
SCHEMBL103873 0.76 SMARCA2 (0.43) TACR1RORCSLC2A1PDK2GPR119
SCHEMBL106403 0.76 RORC (0.39) RORCPDK2GRM5

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 TACR1 891/4885RORC 19/4885ACHE 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.