SCHEMBL20524652

SCHEMBL20524652

COc1nc(C)ncc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 3/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
KDM4E B2RXH2 6/20 0.40

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
SCHEMBL2745323 0.81 TDP1 (0.51) TDP1POLBHPGDGABRPGABRD
SCHEMBL1018930 0.81 ALDH1A1 (0.41) TDP1POLBHPGDGABRPGABRD
SCHEMBL9622627 0.80 POLB (0.50) TDP1POLBHPGDGABRPGABRD
SCHEMBL3444671 0.79 MEN1 (0.50) TDP1POLBKDM4EKMT2AMEN1
SCHEMBL10827865 0.77 POLB (0.47) TDP1POLBHPGDGABRPGABRD
SCHEMBL10827596 0.77 HPGD (0.63) TDP1POLBHPGDGABRPGABRD
SCHEMBL1434641 0.76 HPGD (0.61) TDP1POLBHPGDGABRPGABRD
SCHEMBL21384234 0.76 TDP1 (0.46) TDP1POLBHPGDGABRPGABRD
SCHEMBL22868013 0.76 POLB (0.46) TDP1POLBHPGDKDM4EKMT2A
SCHEMBL1013091 0.76 MAOB (0.37) HPGDKMT2A

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
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
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 TDP1 4539/4885POLB 4791/4885HPGD 3206/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 TDP1 4539/4885POLB 4791/4885HPGD 3206/4885

“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.