SCHEMBL16628233

SCHEMBL16628233

C[C@H]1CCC(F)(F)C[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 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
SCHEMBL15713422 1.00 CA1 (0.39) CA1CA2CA4TRPA1TRPM8
SCHEMBL21935366 0.81 CA1 (0.39) CA1CA2CA4
SCHEMBL21935393 0.81 CA1 (0.39) CA1CA2CA4
SCHEMBL18030226 0.79 CA1 (0.37) CA1CA2CA4
SCHEMBL24589002 0.77
SCHEMBL24588939 0.77
SCHEMBL24588935 0.77
SCHEMBL24589003 0.77
SCHEMBL18236385 0.77
SCHEMBL15114886 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 EP disclosed
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 EP disclosed
EP-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 EP disclosed
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
WO-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 WO 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-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 CA1 2254/4885CA2 4384/4885CA4 2739/4885

“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.