SCHEMBL29466239

SCHEMBL29466239

c1ccc2c3c([nH]c2c1)CCNC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.96
HTR2A P28223 1/20 0.77
HTR2C P28335 1/20 0.77
KDM4E B2RXH2 3/20 0.74
NR2E1 Q9Y466 2/20 0.74
HTR5A P47898 1/20 0.74
NISCH Q9Y2I1 1/20 0.74
PARP1 P09874 1/20 0.65
SIRT2 Q8IXJ6 1/20 0.55
RAD52 P43351 1/20 0.52
KMT2A Q03164 1/20 0.52
CHRNA7 P36544 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL169954 1.00 TAAR1 (0.96) TAAR1HTR2AHTR2CKDM4ENR2E1
Hydrochloric Acid SCHEMBL30741597 0.98 TAAR1 (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
Hydrochloric Acid SCHEMBL2243782 0.98 TAAR1 (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL620253 0.89 TAAR1 (0.78) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL3045846 0.87 HTR2A (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL29736160 0.87 HTR2A (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
SCHEMBL2979137 0.86 TAAR1 (0.73) TAAR1HTR2AHTR2CKDM4ENR2E1
Tryptoline SCHEMBL12190178 0.85 NISCH (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
Tryptoline SCHEMBL171755 0.85 NISCH (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1
Tryptoline SCHEMBL29350043 0.85 NISCH (1.00) TAAR1HTR2AHTR2CKDM4ENR2E1

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
CN-118974060-A Rifabutin analogs for treating diseases 生物验证系统股份公司 2024-11-15 CN claimed
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN claimed
CN-115626889-A Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2023-01-20 CN claimed
EP-4662217-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF BACTERIAL DISEASES BioVersys AG (CH) 2025-12-17 EP disclosed
EP-4551251-A2 CNS TARGETING COMPLEXES AND USES THEREOF Dyne Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119998299-A Rifabutin analogs for treating diseases 生物验证系统股份公司 2025-05-13 CN disclosed
US-20250145576-A1 CATHEPSIN K INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANDONG NEW TIME PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
EP-4508053-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2025-02-19 EP disclosed
CN-119039396-A Alkaline phosphatase-responsive self-assembled polypeptide capable of inducing in-situ degradation of CD47 protein, and preparation method and application thereof 南开国际先进研究院(深圳福田) 2024-11-29 CN disclosed
EP-4467544-A1 CATHEPSIN K INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shandong New Time Pharmaceutical Co., Ltd. (CN) 2024-11-27 EP disclosed
CN-118974060-A Rifabutin analogs for treating diseases 生物验证系统股份公司 2024-11-15 CN disclosed
CN-115626889-B Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2024-04-30 CN disclosed
WO-2024011150-A2 CNS TARGETING COMPLEXES AND USES THEREOF DYNE THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
WO-2023198597-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-10-19 WO disclosed
WO-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed
CN-113582947-B Method for removing sulfonyl protection of amine 南开大学 2023-06-20 CN disclosed
CN-115626889-A Organic chemical conversion method for oxidative dehydrogenation of nitrogen-containing heterocyclic compound 南京工业大学 2023-01-20 CN disclosed
JP-2022172130-A 1,3,4,5-TETRAHYDRO-2H-PYRIDO(4,3-B)INDOLE DERIVATIVES FOR TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES SUCH AS ALZHEIMER'S DISEASE エーシー イミューン エス.エー. 2022-11-15 JP disclosed
EP-3749293-B1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4, 3-B]INDOLE INHIBITORS OF CGAS FOR TREATING AUTOINFLAMMATORY DISEASES UNIV ROCKEFELLER (US) 2022-03-30 EP disclosed
EP-3749293-B1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4, 3-B]INDOLE INHIBITORS OF CGAS FOR TREATING AUTOINFLAMMATORY DISEASES UNIV ROCKEFELLER (US) 2022-03-30 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 (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-20250145576-A1 CATHEPSIN K INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CTSF, CTSK, CTSZ TAAR1 4608/4885HTR2A 4736/4885HTR2C 4522/4885

“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.