SCHEMBL20524692

SCHEMBL20524692

COC(=O)c1cn(CO)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.35
▸ NR4A2 P43354 2/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL22712254 0.85 GAA (0.36) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL20524627 0.85 POLB (0.41) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL20524696 0.83 NR4A2 (0.38) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5653038 0.81 GAA (0.42) MAPTKMT2AMEN1GAAF2
SCHEMBL30953772 0.78 AADAT (0.46) ALDH1A1KMT2AMEN1L3MBTL1GAA
SCHEMBL24828263 0.74 TSHR (0.43) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL21724299 0.71 MAP3K5 (0.42) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL19120470 0.71 CA12 (0.57) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL22712271 0.70 POLB (0.40) ALDH1A1KMT2AL3MBTL1GAAKDM4E
SCHEMBL21724093 0.70 TEAD2 (0.41) MAPTALDH1A1KMT2AMEN1GAA

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-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
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 — — EP disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 — — 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 (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 MAPT 4732/4885ALDH1A1 2339/4885KMT2A 1895/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 MAPT 4732/4885ALDH1A1 2339/4885KMT2A 1895/4885

“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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