SCHEMBL6920045

SCHEMBL6920045

Cc1ccnc(CC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.48
NOS2 P35228 5/20 0.48
NOS3 P29474 3/20 0.48
UHRF1 Q96T88 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
PLAU P00749 1/20 0.36
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36

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
SCHEMBL29851521 1.00 NOS1 (0.48) NOS1NOS2NOS3UHRF1CCR1
SCHEMBL28198023 0.84 NOS1 (0.45) NOS1NOS2NOS3UHRF1CCR1
Ethoxycarbonyl Group SCHEMBL27868094 0.83 SMN1; SMN2 (0.38) NOS1NOS2NOS3UHRF1CCR1
SCHEMBL6560519 0.81 GABRA1 (0.42) NOS1NOS2NOS3KDM4EPOLB
SCHEMBL13995011 0.80 NOS1 (0.51) NOS1NOS2NOS3UHRF1CCR1
SCHEMBL28285435 0.78 UHRF1 (0.38) NOS1NOS2NOS3UHRF1CCR1
SCHEMBL30932457 0.78 UHRF1 (0.54) NOS1NOS2NOS3UHRF1CCR1
SCHEMBL23153050 0.78 GABRA1 (0.36) NOS1NOS2NOS3KDM4EPOLB
SCHEMBL17338725 0.78 SMN1; SMN2 (0.37) NOS1NOS2NOS3KDM4EPOLB
SCHEMBL23153071 0.78 NOS3 (0.43) NOS1NOS2NOS3KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4205565-A1 TOBACCO FILLING MATERIAL AND TOBACCO PRODUCT Japan Tobacco Inc. (JP) 2023-07-05 EP claimed
WO-2022044587-A1 TOBACCO FILLING MATERIAL AND TOBACCO PRODUCT 日本たばこ産業株式会社 2022-03-03 WO claimed
US-11833144-B2 Treating autoimmune disease MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-12-05 US disclosed
US-20230310419-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-10-05 US disclosed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
EP-4205565-A1 TOBACCO FILLING MATERIAL AND TOBACCO PRODUCT Japan Tobacco Inc. (JP) 2023-07-05 EP disclosed
US-20230201192-A1 METHODS AND MATERIALS FOR ASSESSING AND TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2023-06-29 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PASTOR-FERNANDEZ JOAQUIN 2011-11-03 US disclosed
WO-2011110545-A1 IMIDAZO [1, 2 -A] PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 WO disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
WO-2011051342-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-7579350-B2 5-Isobutyl-6-4-isopropyl-4,5-dihydro-oxazol-2-yl)-pyridazin-3-yl]-piperidin-1-yl-methanone; mimetics of functionalized pyridazine derivatives having low molecular weight; alpha-helical binding ligands of natural receptors such as those of the peptide galanin or the protein Bcl THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 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 (10 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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C NOS1 3932/4885NOS2 3975/4885NOS3 3776/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NOS1 3493/4885NOS2 3170/4885NOS3 612/4885
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 NOS1 475/4885NOS2 1627/4885NOS3 2323/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS1 3333/4885NOS2 3467/4885NOS3 817/4885
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 NOS1 4366/4885NOS2 4431/4885NOS3 4515/4885
US-20230201192-A1 METHODS AND MATERIALS FOR ASSESSING AND TREATING CANCER SCD, SCD5, SPTLC1 NOS1 2565/4885NOS2 3453/4885NOS3 3278/4885
US-11833144-B2 Treating autoimmune disease NR5A1, SSB, RBP4 NOS1 685/4885NOS2 1482/4885NOS3 1476/4885
US-20230310419-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, SCD5, CPT1B NOS1 2733/4885NOS2 4065/4885NOS3 3907/4885
US-20110269752-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS PDE12, PDE10A, PDE5A NOS1 598/4885NOS2 704/4885NOS3 743/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 NOS1 1194/4885NOS2 2411/4885NOS3 2145/4885

“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.