SCHEMBL5243620

SCHEMBL5243620

O=CC1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.46
▸ NR1D1 P20393 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PREP P48147 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL3898933 1.00 ACE (0.46) ACENR1D1POLBTDP1L3MBTL1
SCHEMBL17559354 1.00 ACE (0.46) ACENR1D1POLBTDP1L3MBTL1
SCHEMBL25352128 0.87 ACE (0.44) ACEPOLBTDP1L3MBTL1PREP
SCHEMBL25352132 0.87 ACE (0.44) ACEPOLBTDP1L3MBTL1PREP
SCHEMBL2731236 0.81 POLB (0.41) POLBTDP1L3MBTL1DRD2
SCHEMBL18755262 0.80 HTR1A (0.51) TDP1L3MBTL1PREPMAPTLMNA
SCHEMBL6477421 0.80 DRD3 (0.40) HTR1ADRD2DRD3
SCHEMBL17559392 0.80 NAMPT (0.39) POLB
SCHEMBL7482325 0.79 NPSR1 (0.53) NR1D1L3MBTL1
SCHEMBL29959575 0.79 NPSR1 (0.53) NR1D1L3MBTL1

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-117586170-B Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-04-09 — — CN claimed
CN-117586170-A Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-02-23 — — CN claimed
CN-114728938-B Tetrahydroisoquinoline spiro compounds as PRMT5 inhibitors 南京再明医药有限公司 2024-05-24 — — CN disclosed
CN-117586170-B Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-04-09 — — CN disclosed
CN-117586170-A Indolinyl acyl derivative and synthetic method of isoquinoline formyl derivative 江苏集萃分子工程研究院有限公司 2024-02-23 — — CN disclosed
US-20230250108-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 — — US disclosed
EP-4174064-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF Jiangsu Simcere Pharmaceutical Co., Ltd. (CN) 2023-05-03 — — EP disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 — — US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 — — US disclosed
CN-114728938-A Tetrahydroisoquinoline spiro compounds as PRMT5 inhibitors 江苏先声药业有限公司 2022-07-08 — — CN disclosed
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies CTXT PTY LTD (AU) 2021-06-08 — — US disclosed
EP-3189041-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS Ctxt Pty Ltd (AU) 2017-07-12 — — EP disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 — — WO disclosed
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 — — EP disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
EP-1773829-A1 AMINO-TROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 — — EP disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 — — EP disclosed
WO-2006021657-A1 AMINO-TROPANE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 — — WO disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 — — WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 — — 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 (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-20230250108-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF PRMT5, PRMT1, PRMT3 ACE 2318/4885NR1D1 834/4885POLB 3336/4885
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies HBB, HBZ, HBG2 ACE 4677/4885NR1D1 351/4885POLB 80/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 ACE 3431/4885NR1D1 898/4885POLB 3104/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B ACE 3230/4885NR1D1 431/4885POLB 4431/4885

“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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