SCHEMBL20411307

SCHEMBL20411307

Cc1cnccc1-c1ccc(CN2CCN(C(O)OC(C(F)(F)F)C(F)(F)F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.38
▸ RORC P51449 4/20 0.38
▸ PPARG P37231 1/20 0.36
▸ GPR6 P46095 3/20 0.35
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL15094923 0.83 MGLL (0.55) MGLL
SCHEMBL30074248 0.83 MGLL (0.55) MGLL
SCHEMBL20198122 0.79 RPS6KA3 (0.45) RORCGPR6PDE2AKIT
SCHEMBL15264672 0.77 ALDH1A1 (0.47) MGLLRORCGPR6ALDH1A1JAK2
SCHEMBL21868503 0.76 ALDH1A1 (0.41) RORCPPARGGPR6ALDH1A1JAK2
SCHEMBL15101011 0.75 MGLL (0.59) MGLL
SCHEMBL15267044 0.72 ALDH1A1 (0.45) MGLLALDH1A1JAK2JAK1TYK2
SCHEMBL15264465 0.71 GPR6 (0.38) RORCGPR6JAK2JAK1TYK2
SCHEMBL15266644 0.69 CHRM1 (0.47) —
SCHEMBL15094557 0.67 MGLL (0.57) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208568-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2018-07-26 — — 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-20180208568-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, NCEH1 MGLL 14/4885RORC 4753/4885PPARG 1732/4885

“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.

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