SCHEMBL632043

SCHEMBL632043

NCCCc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.73
MAOB P27338 3/20 0.61
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
IGF1R P08069 1/20 0.50
ALOX15 P16050 1/20 0.50
MAOA P21397 1/20 0.50
AOC3 Q16853 1/20 0.48
HTR2A P28223 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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 SCHEMBL3236109 0.98 TAAR1 (0.70) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL4591772 0.93 MAOB (0.73) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL1570115 0.93 TAAR1 (0.70) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL11335508 0.91 TAAR1 (0.67) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL8301429 0.91 TAAR1 (0.67) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL11337555 0.91 TAAR1 (0.67) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL11337432 0.91 TAAR1 (0.67) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL11340620 0.91 TAAR1 (0.67) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL11339628 0.91 TAAR1 (0.67) TAAR1MAOBHTR3EHTR3BHTR3A
SCHEMBL2127830 0.91 TAAR1 (0.67) TAAR1MAOBHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113512029-A Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2021-10-19 CN claimed
CN-112079732-A Synthetic route of 4-alkyl secondary amino-2-butanol compound 湖南大学 2020-12-15 CN claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
US-12331033-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
CN-119490487-A Polysubstituted tetrahydrocarbazole compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-02-21 CN disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20240182420-A1 MICROBIOCIDAL ISONICOTINIC AMIDE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 US disclosed
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 US disclosed
US-4413122-A Optionally N-substituted aminodesoxy-1.4;3.6-dianhydrohexitol derivatives FA. WILMAR SCHWABE GMBH & CO. (DE) 1983-11-01 US disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 US disclosed
EP-0044928-A1 1,4;3,6-Dianhydro-hexite-nitrate substituted by purine bases, process for their preparation and their pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 EP disclosed
EP-0044932-A1 Optionally N-substituted amino-deoxy-1,4;3,6-dianhydro-hexite derivatives, processes for their preparation and their application Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 EP disclosed
EP-0002721-B1 PROCESS FOR PREPARING HYDRAZINES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 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 (6 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-12331033-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP TAAR1 3970/4885MAOB 3492/4885HTR3E 3459/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA TAAR1 4387/4885MAOB 4016/4885HTR3E 1638/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 TAAR1 3587/4885MAOB 333/4885HTR3E 560/4885
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors RIPK1, RIPK3, RIPK4 TAAR1 3974/4885MAOB 4201/4885HTR3E 2854/4885
US-20240182420-A1 MICROBIOCIDAL ISONICOTINIC AMIDE DERIVATIVES ARG2, MPO, ARG1 TAAR1 1728/4885MAOB 906/4885HTR3E 4258/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TAAR1 2975/4885MAOB 4698/4885HTR3E 4165/4885

“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.