SCHEMBL7751

SCHEMBL7751

COc1ccccc1SCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
PTGS2 P35354 9/20 0.57
LMNA P02545 1/20 0.54
CDC25A P30304 2/20 0.49
CDC25B P30305 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
BRD4 O60885 1/20 0.45
MAP2K7 O14733 1/20 0.45
DHFR P00374 1/20 0.45

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
SCHEMBL29515347 1.00 MTNR1A (0.61) MTNR1AMTNR1BPTGS2LMNACDC25A
SCHEMBL11603765 0.90 PTGS2 (0.66) MTNR1AMTNR1BPTGS2LMNAPOLB
SCHEMBL4413192 0.89 PTGS2 (0.72) MTNR1AMTNR1BPTGS2LMNAPOLB
SCHEMBL4266887 0.88 PTGS2 (0.75) MTNR1AMTNR1BPTGS2LMNAPOLB
SCHEMBL4404145 0.88 PTGS2 (0.75) MTNR1AMTNR1BPTGS2LMNAPOLB
SCHEMBL4410750 0.88 PTGS2 (0.75) MTNR1AMTNR1BPTGS2LMNAPOLB
SCHEMBL4273970 0.88 PTGS2 (0.75) MTNR1AMTNR1BPTGS2LMNAPOLB
SCHEMBL8470343 0.84 HPGD (0.46) MTNR1AMTNR1BPTGS2LMNACDC25A
SCHEMBL14273054 0.84 PTGS2 (0.79) PTGS2
SCHEMBL7419329 0.83 MTNR1A (0.56) MTNR1AMTNR1BPTGS2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-07-27 US disclosed
CN-113754685-B Dihydrothiochromene pyrazole derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-06-16 CN disclosed
CN-115835863-A Oxaazabicyclic derivatives, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-03-21 CN disclosed
CN-115836077-A Oxaazaspiro derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-03-21 CN disclosed
CN-113754685-A Dihydrothiochromene pyrazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-12-07 CN disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
EP-0627438-B1 METHANEDIPHOSPHONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 1999-01-13 EP disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
US-5565440-A ANTIINFLAMMATORY, ANTIPYRITIC, ANALGESIC, ANTIRHEUMATIC, ANTIARTHRITIC OR ANTIOSTEOPROSIS AGENT TORAY INDUSTRIES, INC. (JP) 1996-10-15 US disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 WO disclosed
EP-0627438-A1 METHANEDIPHOSPHONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-12-07 EP disclosed
US-4086240-A 1-Thiazolyl-5-phenoxy and phenylthioalkanoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 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 (1 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-20230234962-A1 OXA-AZASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF PIK3CD, PIK3CA, PIK3R5 MTNR1A 4046/4885MTNR1B 3314/4885PTGS2 909/4885

“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.