SCHEMBL4717

SCHEMBL4717

Brc1cccc(Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
MAOB P27338 2/20 0.52
IDH1 O75874 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM1A O60341 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
SCHEMBL31499406 1.00 CALM1 (0.57) CALM1TAAR1IDO1AGXTMAOB
SCHEMBL9200966 0.93 TAAR1 (0.60) TAAR1IDO1AGXTMAOBHCAR2
SCHEMBL9351968 0.88 TAAR1 (0.52) CALM1TAAR1IDO1AGXTMAOB
SCHEMBL6481288 0.83 CALM1 (0.60) CALM1TAAR1IDO1AGXTMAOB
SCHEMBL754462 0.83 MAOB (0.54) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL3890987 0.83 TAAR1 (0.47) TAAR1IDO1AGXTMAOBHCAR2
SCHEMBL1501356 0.83 CYP11B1 (0.49) TAAR1IDO1AGXTMAOBHCAR2
SCHEMBL1631126 0.83 MAOB (0.54) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL1539285 0.83 TAAR1 (0.52) TAAR1IDO1AGXTMAOBTDP1
SCHEMBL10877707 0.82 TAAR1 (0.50) TAAR1IDO1AGXTMAOBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120024884-A Method for preparing high-performance hard carbon by using small organic molecules 厦门稀土材料研究所 2025-05-23 CN claimed
CN-120024884-A Method for preparing high-performance hard carbon by using small organic molecules 厦门稀土材料研究所 2025-05-23 CN disclosed
EP-3661923-B1 N-HETEROCYCLIC COMPOUNDS AS OREXIN 2 AGONISTS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2024-05-15 EP disclosed
CN-116535329-A Synthetic method of NOBIN-type axial chiral biaryl compound and compound thereof 湖南师范大学 2023-08-04 CN disclosed
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-02 US disclosed
CN-114230581-B Multidentate organic ligand, preparation method and application thereof, metal supramolecular polymer and preparation method thereof 吉林大学 2023-01-31 CN disclosed
CN-108069957-B Prolyl hydroxylase inhibitors and uses thereof 广东东阳光药业有限公司 2022-11-04 CN disclosed
US-11440883-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-13 US disclosed
CN-111051295-B Heterocyclic compounds and their use 武田药品工业株式会社 2022-09-02 CN disclosed
CN-114230581-A Multidentate organic ligand, preparation method and application thereof, metal supramolecular polymer and preparation method thereof 吉林大学 2022-03-25 CN disclosed
EP-0529444-B1 2-Arylpropenic acids and their utilisation in the preparation of 5-ketoprofen BAYER AG (DE) 1997-04-16 EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
US-5362907-A Intermediates and their use in the preparation of s-ketoprofen BAYER AKTIENGESELLSCHAFT (DE) 1994-11-08 US disclosed
EP-0529444-A2 2-Arylpropenic acids and their utilisation in the preparation of 5-ketoprofen BAYER AG (DE) 1993-03-03 EP disclosed
CN-1015545-B preparation method of glycolic acid derivative for treating diabetic complications PFIZER (US) 1992-02-19 CN disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1007248-B PROCESS FOR MANUFACTURING OF FLOOD SUGAR REDUCING MEDICINE-THIAZOLIDINEDIONS PFIZER (US) 1990-03-21 CN disclosed
CN-87100191-A The hydroxy acid derivative of treatment diabetic complication 1987-09-09 CN disclosed
CN-86104075-A Preparation method of hypoglycemic agent-thiazolidinedione 1987-03-11 CN 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 (2 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-11440883-B2 Heterocyclic compound and use thereof HCRTR2, HCRTR1, CNR2 CALM1 1612/4885TAAR1 37/4885IDO1 789/4885
US-20230063805-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CNR2 CALM1 1612/4885TAAR1 37/4885IDO1 789/4885

“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.