SCHEMBL20524617

SCHEMBL20524617

COc1nn(CCF)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GPR6 P46095 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MAP3K5 Q99683 4/20 0.34
▸ GAA P10253 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL22712271 0.87 POLB (0.40) KMT2APOLBTDP1GPR6ALDH1A1
SCHEMBL20524696 0.86 NR4A2 (0.38) KMT2AGPR6ALDH1A1MAP3K5GAA
SCHEMBL29002512 0.86 KMT2A (0.36) KMT2APOLBGPR6MAP3K5GAA
SCHEMBL21723855 0.84 MAP3K5 (0.45) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL20524627 0.82 POLB (0.41) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL21724299 0.82 MAP3K5 (0.42) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL21723833 0.82 KMT2A (0.41) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL21724079 0.80 MAP3K5 (0.44) KMT2APOLBTDP1ALDH1A1MAP3K5
SCHEMBL2516540 0.80 POLB (0.44) KMT2APOLBTDP1MAP3K5GAA
Hydrochloric Acid SCHEMBL29002478 0.78 POLB (0.43) KMT2APOLBTDP1MAP3K5GAA

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 KMT2A 1895/4885POLB 4791/4885TDP1 4539/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 KMT2A 1895/4885POLB 4791/4885TDP1 4539/4885

“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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