SCHEMBL61795

SCHEMBL61795

COc1ccc2ncc(C(=O)O)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
F2 P00734 1/20 0.64
GLA P06280 1/20 0.64
KDM4E B2RXH2 2/20 0.63
HPGDS O60760 10/20 0.58
MGAM O43451 1/20 0.57
PDGFRB P09619 3/20 0.52
PDGFRA P16234 3/20 0.52
EGFR P00533 1/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
Hydrochloric Acid SCHEMBL6085328 0.98 ALDH1A1 (0.62) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL4407431 0.88 ALDH1A1 (0.68) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL622114 0.88 HPGDS (0.76) KDM4EHPGDS
SCHEMBL30504629 0.88 HPGDS (0.76) KDM4EHPGDS
SCHEMBL18371227 0.88 KDM4E (0.63) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL3845152 0.86 HPGDS (0.78) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL20799517 0.86 ALDH1A1 (0.62) ALDH1A1HPGDF2GLAHPGDS
Hydrochloric Acid SCHEMBL6085339 0.86 HPGDS (0.74) KDM4EHPGDS
SCHEMBL4217798 0.85 MGAM (0.54) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL4145819 0.84 ALDH1A1 (0.59) ALDH1A1HPGDF2GLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102633-B2 Spirolactone compounds QUIXGEN, INC. (US) 2024-10-01 US disclosed
EP-3644998-B1 NOVEL SPIROLACTONE COMPOUNDS QUIXGEN INC (US) 2024-04-10 EP disclosed
US-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
CN-110799187-B Spirolactone compounds 汇科锦公司 2023-10-03 CN disclosed
US-11541046-B2 Spirolactone compounds QUIXGEN, INC. (US) 2023-01-03 US disclosed
US-20210145822-A1 Novel Spirolactone Compounds QUIXGEN, INC. (US) 2021-05-20 US disclosed
EP-3644998-A1 NOVEL SPIROLACTONE COMPOUNDS Quixgen, Inc. (US) 2020-05-06 EP disclosed
CN-110799187-A Novel spirolactone compounds 汇科锦公司 2020-02-14 CN disclosed
WO-2019006324-A1 NOVEL SPIROLACTONE COMPOUNDS QUIXGEN, INC. (US) 2019-01-03 WO disclosed
CN-106117205-B Pyrazolo spiral shell ketone derivatives as acetyl-CoA carboxylase inhibitor class 辉瑞大药厂 2018-09-21 CN disclosed
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
EP-0778835-A4 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIV VIRGINIA (US) 1999-02-03 EP disclosed
US-5817679-A ANALGESICS, ANTIINFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1998-10-06 US disclosed
EP-0778835-A1 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1997-06-18 EP disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 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 (4 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-11541046-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 ALDH1A1 40/4885HPGD 735/4885F2 3660/4885
US-20210145822-A1 Novel Spirolactone Compounds ACACA, HSD17B10, AKR1C2 ALDH1A1 43/4885HPGD 730/4885F2 3703/4885
US-20230355609-A1 Spirolactone Compounds ACACA, AKR1C2, AKR1A1 ALDH1A1 40/4885HPGD 735/4885F2 3660/4885
US-12102633-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 ALDH1A1 40/4885HPGD 735/4885F2 3660/4885

“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.