SCHEMBL104461

SCHEMBL104461

CC(C)(C)OC(=O)N1CCN(c2ccc(C(OCc3ccccc3)(C(F)(F)F)C(F)(F)F)cc2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
TACR1 P25103 1/20 0.45
RORC P51449 5/20 0.43
ACHE P22303 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
SLC2A1 P11166 1/20 0.41
PDK2 Q15119 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
PRMT1 Q99873 1/20 0.40
BACE1 P56817 1/20 0.40
KIT P10721 1/20 0.40
PTPN11 Q06124 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
GRM5 P41594 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
SCHEMBL132842 0.89 GRM5 (0.42) RORCPRMT1GRM5
SCHEMBL105867 0.89 TACR1 (0.45) SMARCA2SMARCA4PBRM1TACR1RORC
SCHEMBL103004 0.86 MAPT (0.49) TACR1RORC
SCHEMBL168097 0.85 SLC2A1 (0.44) SMARCA2SMARCA4PBRM1TACR1RORC
SCHEMBL168096 0.85 SLC2A1 (0.44) SMARCA2SMARCA4PBRM1TACR1RORC
SCHEMBL106246 0.81 GPR119 (0.42) SMARCA2SMARCA4PBRM1TACR1RORC
SCHEMBL30301736 0.80 ALDH1A1 (0.54) SMARCA2SMARCA4PBRM1TACR1PDK2
SCHEMBL114538 0.80 ALDH1A1 (0.54) SMARCA2SMARCA4PBRM1TACR1PDK2
SCHEMBL6628461 0.77 MAPT (0.57) SMARCA2SMARCA4PBRM1TACR1PDK2
SCHEMBL103872 0.76 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1TACR1RORC

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 SMARCA2 2083/4885SMARCA4 2434/4885PBRM1 4448/4885

“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.