SCHEMBL3590902

SCHEMBL3590902

CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ncc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.44
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
ACHE P22303 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR9 Q9NR96 3/20 0.41
TLR7 Q9NYK1 2/20 0.41
SLC2A1 P11166 1/20 0.40
MAPT P10636 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL3593569 0.91 RORC (0.37) KMT2AMAPT
SCHEMBL176012 0.88 GRM5 (0.38) KMT2AMAPT
SCHEMBL3595521 0.82 GPR119 (0.42) GPR119CKS1BSKP1SKP2MEN1
SCHEMBL103379 0.76 CKS1B (0.47) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL105867 0.75 TACR1 (0.45) GPR119ACHETLR9TLR7SLC2A1
SCHEMBL104461 0.75 SMARCA2 (0.46) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL103004 0.73 MAPT (0.49) MEN1KMT2AMAPT
SCHEMBL168096 0.72 SLC2A1 (0.44) GPR119ACHETLR9TLR7SLC2A1
SCHEMBL168097 0.72 SLC2A1 (0.44) GPR119ACHETLR9TLR7SLC2A1
SCHEMBL103826 0.72 MEN1 (0.45) GPR119CKS1BSKP1SKP2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US 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 GPR119 16/4885CKS1B 509/4885SKP1 647/4885

“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.