SCHEMBL22712271

SCHEMBL22712271

COc1nn(CF)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ GPR6 P46095 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAP3K5 Q99683 5/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NOTUM Q6P988 1/20 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
SCHEMBL20524617 0.87 KMT2A (0.42) POLBTDP1KMT2AGPR6ATM
SCHEMBL22712254 0.85 GAA (0.36) KMT2AGPR6L3MBTL1MAP3K5ALDH1A1
SCHEMBL29002480 0.85 NNMT (0.35) POLBKMT2AGPR6MAP3K5ALDH1A1
SCHEMBL20524627 0.85 POLB (0.41) POLBTDP1KMT2AATML3MBTL1
SCHEMBL21724299 0.85 MAP3K5 (0.42) POLBTDP1KMT2AATML3MBTL1
SCHEMBL21724079 0.83 MAP3K5 (0.44) POLBTDP1KMT2AATML3MBTL1
SCHEMBL21723855 0.81 MAP3K5 (0.45) POLBTDP1KMT2AMAP3K5ALDH1A1
SCHEMBL21723853 0.80 MAP3K5 (0.45) POLBTDP1KMT2AL3MBTL1MAP3K5
SCHEMBL21723813 0.80 KMT2A (0.38) POLBTDP1KMT2AATML3MBTL1
SCHEMBL2516540 0.79 POLB (0.44) POLBTDP1KMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 — — CN disclosed
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 POLB 4791/4885TDP1 4539/4885KMT2A 1895/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 POLB 4791/4885TDP1 4539/4885KMT2A 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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