SCHEMBL630830

SCHEMBL630830

COC(=O)CCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
S1PR1 P21453 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 3/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL631613 0.93 RXRA (0.38) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL630567 0.92 NOTUM (0.41) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL630808 0.92 RXRA (0.38) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL630422 0.91 RXRA (0.41) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL630502 0.90 CTSA (0.37) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL631857 0.89 XDH (0.42) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL630550 0.89 RXRA (0.36) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL9440996 0.88 RXRA (0.42) RXRARXRBRXRGS1PR1SMN1; SMN2
SCHEMBL4188103 0.88 S1PR1 (0.45) S1PR1SMN1; SMN2LMNAMITFS1PR4
SCHEMBL628828 0.88 F2RL3 (0.38) RXRARXRBRXRGS1PR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197160-A Heterocyclic compounds 武田药品工业株式会社 2022-10-18 CN claimed
US-20180237404-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-23 US claimed
EP-3210973-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP claimed
CN-115197160-A Heterocyclic compounds 武田药品工业株式会社 2022-10-18 CN disclosed
CN-107108506-B Heterocyclic compounds 武田药品工业株式会社 2022-06-21 CN disclosed
US-20210340114-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-04 US disclosed
EP-3848353-A1 MEDICAMENTS FOR THE TREATMENT OF OPHTHALMIC DISEASES Takeda Pharmaceutical Company Limited (JP) 2021-07-14 EP disclosed
US-10975043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-13 US disclosed
US-20200157062-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-21 US disclosed
US-10544111-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-01-28 US disclosed
US-20190119225-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-25 US disclosed
US-20180237404-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-23 US disclosed
EP-3210973-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP 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 (7 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 RXRA 23/4885RXRB 53/4885RXRG 77/4885
US-20190119225-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RARA RXRA 6/4885RXRB 8/4885RXRG 10/4885
US-20210340114-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RARA RXRA 6/4885RXRB 8/4885RXRG 10/4885
US-20180237404-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RARA RXRA 6/4885RXRB 8/4885RXRG 10/4885
US-10975043-B2 Heterocyclic compound RBP4, RBP1, RARA RXRA 6/4885RXRB 8/4885RXRG 10/4885
US-10544111-B2 Heterocyclic compound RBP4, RBP1, RARA RXRA 6/4885RXRB 8/4885RXRG 10/4885
US-20200157062-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RARA RXRA 6/4885RXRB 8/4885RXRG 10/4885

“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.