SCHEMBL489770

SCHEMBL489770

O=C(OCc1ccccc1)OC(=O)[C@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
CTSC P53634 1/20 0.44
ELANE P08246 1/20 0.43
GLA P06280 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3447413 1.00 TSHR (0.51) TSHRHTR2CHTR2BCTSCELANE
SCHEMBL4758450 1.00 TSHR (0.51) TSHRHTR2CHTR2BCTSCELANE
SCHEMBL7412066 0.93 TSHR (0.48) TSHRHTR2CHTR2BGLAALDH1A1
SCHEMBL11425268 0.92 HTR2C (0.45) TSHRHTR2CHTR2BCTSCELANE
SCHEMBL4069956 0.89 TSHR (0.63) TSHRHTR2CHTR2BCTSCELANE
SCHEMBL630517 0.89 TSHR (0.63) TSHRHTR2CHTR2BCTSCELANE
SCHEMBL693351 0.89 TSHR (0.63) TSHRHTR2CHTR2BCTSCELANE
Hydrochloric Acid SCHEMBL1000787 0.87 TSHR (0.65) TSHRHTR2CHTR2BCTSCELANE
Hydrochloric Acid SCHEMBL630516 0.87 TSHR (0.65) TSHRHTR2CHTR2BCTSCELANE
Hydrochloric Acid SCHEMBL693350 0.87 TSHR (0.65) TSHRHTR2CHTR2BCTSCELANE

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514679-A Palladium-catalyzed sp with low-cost and high-efficiency quaternary ammonium nitrate as oxidant 2 And sp (sp) 3 Carbon hydrogen bond alkenylation method 南京工业大学 2023-08-01 CN claimed
US-20260055057-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2026-02-26 US disclosed
WO-2026042018-A1 4-{4-[(1-{[4-(PROPAN-2-YL)PHENYL]CARBAMOYL)-D-PROLYL)AMINO]CYCLOHEXYL}BENZOIC ACID DERIVATIVES AS GIPR ANTAGONISTS FOR THE TREATMENT OF DIABETES PFIZER INC. (US) 2026-02-26 WO disclosed
WO-2025224599-A1 PYRROLIDINE-BASED GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-10-30 WO disclosed
US-20250326741-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-10-23 US disclosed
EP-4581018-A1 INDAZOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Mindset Pharma Inc. (CA) 2025-07-09 EP disclosed
EP-4581028-A1 INDOLINE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Mindset Pharma Inc. (CA) 2025-07-09 EP disclosed
WO-2024044848-A1 INDAZOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2024-03-07 WO disclosed
WO-2024044847-A1 INDOLINE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2024-03-07 WO disclosed
CN-116514679-A Palladium-catalyzed sp with low-cost and high-efficiency quaternary ammonium nitrate as oxidant 2 And sp (sp) 3 Carbon hydrogen bond alkenylation method 南京工业大学 2023-08-01 CN disclosed
US-20110166364-A1 SYNTHESIS OF 3--5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2011-07-07 US disclosed
WO-2010121673-A1 SYNTHESIS OF 3-{[(2R)-1-METHYLPYRROLIDIN-2-YL]METHYL}-5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2010-10-28 WO disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
WO-2000005229-A1 PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-02-03 WO disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
US-5158970-A Prolylendopeplidase inhibitors; antiamnesia KABUSHIKI KAISHA YAKULT HONSHA (JP) 1992-10-27 US disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO disclosed
EP-0384341-A2 New proline derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1990-08-29 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 (5 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 TSHR 857/4885HTR2C 1992/4885HTR2B 1194/4885
US-20260055057-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF GIPR, GLP1R, GPR119 TSHR 24/4885HTR2C 246/4885HTR2B 414/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 TSHR 857/4885HTR2C 1992/4885HTR2B 1194/4885
US-20110166364-A1 SYNTHESIS OF 3--5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE TMPRSS15, PEPD, DPP9 TSHR 2142/4885HTR2C 162/4885HTR2B 281/4885
US-20250326741-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF GIPR, GLP1R, GPR119 TSHR 28/4885HTR2C 422/4885HTR2B 368/4885

“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.