SCHEMBL29391951

SCHEMBL29391951

Cc1cccc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 6/20 1.00
▸ HTR7 P34969 5/20 0.62
▸ HTR1A P08908 4/20 0.62
▸ HTR3E A5X5Y0 3/20 0.62
▸ HTR3B O95264 3/20 0.62
▸ HTR3A P46098 3/20 0.62
▸ HTR3D Q70Z44 3/20 0.62
▸ HTR3C Q8WXA8 3/20 0.62
▸ SIGMAR1 Q99720 3/20 0.62
▸ HTR2C P28335 3/20 0.62
▸ THRB P10828 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ SLC6A4 P31645 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HTR2B P41595 1/20 0.62

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
SCHEMBL81365 1.00 ADRB1 (1.00) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL314399 0.98 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6965723 0.98 ADRB1 (0.96) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL234093 0.93 ADRB1 (0.87) ADRB1HTR7HTR1AHTR3EHTR3B
Bicarbonate SCHEMBL11624933 0.92 ADRB1 (0.84) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL5540575 0.89 ADRB1 (0.80) ADRB1HTR7HTR1AHTR3EHTR3B
Succinic Acid SCHEMBL7471098 0.86 ADRB1 (0.74) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL10373770 0.86 ADRB1 (0.74) ADRB1HTR7ALDH1A1MAPTKCNH2
SCHEMBL11103700 0.86 ADRB1 (0.74) ADRB1HTR7ALDH1A1MAPTKCNH2
SCHEMBL11714795 0.85 ADRB1 (0.72) ADRB1HTR7HTR1AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 — — CN claimed
CN-111879767-B Color development test method of piperazine novel mental active substance 福建警察学院 2022-05-03 — — CN claimed
CN-111795963-B Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2022-05-03 — — CN claimed
CN-110452130-B Obovatol Mannich base derivative and preparation method and application thereof 山西农业大学 2022-03-01 — — CN claimed
EP-4642434-A2 LIPID COMPOSITIONS ON THE BASIS OF IONIZABLE LIPIDS, USE FOR DELIVERY TO IMMUNE CELLS Life Technologies Corporation (US) 2025-11-05 — — EP disclosed
CN-112437768-B Novel functionalized lactams as modulators of 5-hydroxytryptamine receptor 7 and methods of use thereof 英联邦高等教育系统坦普尔大学 2025-06-24 — — CN disclosed
CN-119019387-A 3-Substituted-1-H-indole pyrazole derivative compound, and preparation method and application thereof 贵州大学 2024-11-26 — — CN disclosed
CN-118834313-A Zwitterionic polymer, ion exchange membrane, and preparation methods and applications thereof 佛山绿动氢能科技有限公司 2024-10-25 — — CN disclosed
WO-2024145435-A2 LIPID COMPOSITIONS AND METHODS FOR DELIVERY TO IMMUNE CELLS Life Technologies Corporation (US) 2024-07-04 — — WO disclosed
US-20240180898-A1 USE OF AMINOTHIAZOLE DERIVATIVE IN TREATMENT OF IMMUNE INFLAMMATION INNAMUNE PHARMACEUTICAL CO. LTD. (CN) 2024-06-06 — — US disclosed
CN-113272292-B (2, 5-dioxopyrrolidin-1-yl) (phenyl) -acetamide derivatives and their use in the treatment of neurological diseases 雅盖隆大学 2024-04-12 — — CN disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 — — CN disclosed
CN-112831206-B Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2022-12-30 — — CN disclosed
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 — — US disclosed
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 — — CN disclosed
CN-115197169-A Preparation method and application of pleuromutilin derivative by taking 2-aminobenzenethiol as connecting group 华南农业大学 2022-10-18 — — CN disclosed
CN-111879767-B Color development test method of piperazine novel mental active substance 福建警察学院 2022-05-03 — — CN disclosed
CN-111795963-B Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2022-05-03 — — CN disclosed
EP-3965766-A1 COMBINATION OF AN ?2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2022-03-16 — — EP disclosed
CN-110452130-B Obovatol Mannich base derivative and preparation method and application thereof 山西农业大学 2022-03-01 — — 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-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR ADRB1 3086/4885HTR7 4280/4885HTR1A 4572/4885
US-20240180898-A1 USE OF AMINOTHIAZOLE DERIVATIVE IN TREATMENT OF IMMUNE INFLAMMATION AADAT, IDO1, IDO2 ADRB1 218/4885HTR7 431/4885HTR1A 166/4885

“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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