SCHEMBL7991455

SCHEMBL7991455

Cc1cnc(N2CCNCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 1/20 0.59
TAAR1 Q96RJ0 1/20 0.53
ADRB1 P08588 2/20 0.48
CASP1 P29466 6/20 0.48
CYP1A2 P05177 5/20 0.48
HPGD P15428 5/20 0.48
CASP7 P55210 5/20 0.48
HSD17B10 Q99714 5/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HRH1 P35367 1/20 0.47
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR7 P34969 2/20 0.46
HTR2B P41595 2/20 0.46
HTR6 P50406 2/20 0.46
HTR5A P47898 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 SCHEMBL28966659 0.98 ALDH1A1 (0.62) ALDH1A1KDM4ETAAR1ADRB1CASP1
SCHEMBL27368275 0.84 TAAR1 (0.44) ALDH1A1KDM4ETAAR1CASP1CYP1A2
SCHEMBL25512494 0.82 CYP2D6 (0.68) ALDH1A1KDM4ETAAR1CYP1A2HPGD
SCHEMBL4582837 0.82 HTR1A (0.54) ALDH1A1KDM4ETAAR1ADRB1CASP1
SCHEMBL12457554 0.80 GPR119 (0.44) ALDH1A1KDM4ETSHRUSP2SMN1; SMN2
SCHEMBL436107 0.80 POLB (0.47) ALDH1A1TSHRSMN1; SMN2
SCHEMBL25255051 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1ADRB1CASP1
SCHEMBL2274356 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1ADRB1CASP1
SCHEMBL5102919 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1ADRB1CASP1
SCHEMBL4476809 0.79 KDM4E (0.59) ALDH1A1KDM4ETAAR1ADRB1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025040167-A1 PHOSPHOINOSITIDE 3-KINASE ALLOSTERIC INHIBITOR FOR TREATING DISEASE RELATED TO PI3K REGULATION 上海艾力斯医药科技股份有限公司 2025-02-27 WO disclosed
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2025-01-30 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3856341-B1 CRYSTALLINE FORMS OF (S)-1-(4-FLUOROPHENYL)-1-(2-(4-(6-(1-METHYL-1H-PYRAZOL-4-YL)PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)PIPERAZINYL)-PYRIMIDIN-5-YL)ETHAN-1-AMINE AND METHODS OF MAKING BLUEPRINT MEDICINES CORP (US) 2023-09-06 EP disclosed
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS ANKURA TRUST COMPANY, LLC, AS COLLATERAL TRUSTEE 2023-06-22 US disclosed
EP-4180432-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
WO-2023020479-A1 PARP7 INHIBITOR AND APPLICATION THEREOF 重庆华森制药股份有限公司 2023-02-23 WO disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 WO disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 WO disclosed
US-6288230-B1 COMPOUNDS FOR TREATMENT OF PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-09-11 US disclosed
WO-2000018763-A2 2-(2,3-DIHYDROBENZOFURAN-5-YL)-4-AMINOMETHYLIMIDAZOLES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 WO 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 (7 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-12030857-B2 Glucose uptake inhibitors SLC2A1, SLC2A4, SLC2A2 ALDH1A1 1422/4885KDM4E 2325/4885TAAR1 4038/4885
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 ALDH1A1 2502/4885KDM4E 4022/4885TAAR1 3560/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 ALDH1A1 2502/4885KDM4E 4022/4885TAAR1 3560/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885KDM4E 553/4885TAAR1 4515/4885
US-20250034120-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 ALDH1A1 1033/4885KDM4E 929/4885TAAR1 4273/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 337/4885KDM4E 2919/4885TAAR1 412/4885
US-20230192664-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 ALDH1A1 1033/4885KDM4E 929/4885TAAR1 4273/4885

“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.