SCHEMBL22712254

SCHEMBL22712254

COC(=O)c1cn(CF)nc1OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ GPR6 P46095 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ NR4A2 P43354 2/20 0.34
▸ AHR P35869 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAP3K5 Q99683 3/20 0.34
▸ BRD4 O60885 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
SCHEMBL20524696 0.88 NR4A2 (0.38) GAAF2GPR6MAPTKMT2A
SCHEMBL22712271 0.85 POLB (0.40) GAAGPR6KMT2AALDH1A1L3MBTL1
SCHEMBL20524692 0.85 MAPT (0.39) GAAF2MAPTKMT2AMEN1
SCHEMBL29002480 0.84 NNMT (0.35) GAAGPR6KMT2AMEN1ALDH1A1
SCHEMBL5653038 0.80 GAA (0.42) GAAF2MAPTKMT2AMEN1
SCHEMBL30953772 0.77 AADAT (0.46) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL24828263 0.73 TSHR (0.43) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL20524617 0.73 KMT2A (0.42) GAAGPR6KMT2AALDH1A1L3MBTL1
SCHEMBL29002512 0.72 KMT2A (0.36) GAAGPR6KMT2AKDM4EMAP3K5
SCHEMBL21723831 0.71 MAP3K5 (0.43) GAAALDH1A1KDM4ENPSR1MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 — — EP disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 — — CN disclosed
US-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-08-30 — — US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 — — US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 — — 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 (2 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-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 GPR6, GPR3, GPR68 GAA 1751/4885F2 4338/4885GPR6 1/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 GAA 1751/4885F2 4338/4885GPR6 1/4885

“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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