SCHEMBL21353203

SCHEMBL21353203

O=C(O)n1ccc2ncc(SCc3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ GCK P35557 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ HIF1AN Q9NWT6 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ DAO P14920 2/20 0.36
▸ GRIN2B Q13224 3/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL29248231 0.86 PTGDR2 (0.43) PTGDR2SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL21064287 0.84 HTR2C (0.42) SCN9AGCKRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29650244 0.84 HTR2C (0.42) SCN9AGCKRAB9ASMN1; SMN2ALDH1A1
SCHEMBL30199691 0.81 TSHR (0.41) SCN9AGCKRAB9ASMN1; SMN2ALDH1A1
SCHEMBL18279344 0.68 ALDH1A1 (0.43) SCN9AGCKRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14488976 0.67 DAO (0.51) SCN9AGCKRAB9ASMN1; SMN2ALDH1A1
SCHEMBL22158223 0.67 ALDH1A1 (0.41) ALDH1A1HPGDHTT
SCHEMBL2743888 0.66 P4HTM (0.53) SCN9AALDH1A1KDM4EHPGDCYP2C9
SCHEMBL21353441 0.66 GRIN2B (0.35) ALDH1A1GRIN2BHSD17B10
SCHEMBL19692864 0.66 QPCT (0.43) SCN9ARAB9ASMN1; SMN2ALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 — — US disclosed
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 — — CN disclosed
US-20210340154-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-11-04 — — US disclosed
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2021-02-23 — — US disclosed
CN-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 — — CN disclosed
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-08-27 — — US disclosed
US-10662200-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-05-26 — — US disclosed
US-10479797-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2019-11-19 — — US disclosed
US-20190292196-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-26 — — US disclosed
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-19 — — 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 (8 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-10479797-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PTGDR2 593/4885SCN9A 932/4885GCK 3535/4885
US-20190292196-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PTGDR2 593/4885SCN9A 932/4885GCK 3535/4885
US-20210340154-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PTGDR2 572/4885SCN9A 881/4885GCK 3474/4885
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PTGDR2 593/4885SCN9A 932/4885GCK 3535/4885
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PTGDR2 593/4885SCN9A 932/4885GCK 3535/4885
US-10662200-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PTGDR2 593/4885SCN9A 932/4885GCK 3535/4885
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PTGDR2 593/4885SCN9A 932/4885GCK 3535/4885
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PTGDR2 593/4885SCN9A 932/4885GCK 3535/4885

“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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