SCHEMBL171278

SCHEMBL171278

C/C=C\c1cc(C(OCCCC)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2C(=O)NC(C)(c3cnc4c(c3)OCCO4)C2=O)C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
NR1H2 P55055 6/20 0.38
NR1H3 Q13133 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.33
ADAMTS5 Q9UNA0 2/20 0.31
GAA P10253 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL15304428 0.92 NR1H2 (0.40) HTTNR1H2NR1H3L3MBTL1GAA
SCHEMBL104254 0.90 HTT (0.39) HTTNR1H2NR1H3L3MBTL1POLB
SCHEMBL3590100 0.90 HTT (0.39) HTTNR1H2NR1H3L3MBTL1POLB
SCHEMBL3590106 0.90 HTT (0.39) HTTNR1H2NR1H3L3MBTL1POLB
SCHEMBL13072520 0.90 HTT (0.41) HTTNR1H2NR1H3L3MBTL1POLB
SCHEMBL13072521 0.85 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL3599015 0.82 HTT (0.40) HTTNR1H2NR1H3L3MBTL1POLB
SCHEMBL106171 0.82 HTT (0.40) HTTNR1H2NR1H3L3MBTL1POLB
SCHEMBL13072522 0.81 NR1H2 (0.38) HTTNR1H2NR1H3L3MBTL1GAA
SCHEMBL13072519 0.81 HTT (0.42) HTTNR1H2NR1H3L3MBTL1GAA

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 HTT 2209/4885NR1H2 1/4885NR1H3 2/4885

“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.