SCHEMBL820814

SCHEMBL820814

CC(C)(C)CCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
KCNA3 P22001 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL24277911 1.00 HRH3 (0.48) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL10032106 1.00 HRH3 (0.48) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL179355 0.97 CARM1 (0.44) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL12025008 0.92 CARM1 (0.39) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL22959615 0.90 POLB (0.41) HRH3CYP2D6LMNACHRM2HTR1A
SCHEMBL20125805 0.86
SCHEMBL13246592 0.86 ALOX15 (0.38) KCNH2SIGMAR1ALDH1A1
SCHEMBL19543665 0.86 ALOX15 (0.38) KCNH2SIGMAR1ALDH1A1
SCHEMBL19543020 0.86 ALOX15 (0.38) KCNH2SIGMAR1ALDH1A1
SCHEMBL12563635 0.86 ALOX15 (0.38) KCNH2SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 US disclosed
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 US disclosed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-20240025851-A1 Modulators of BCL6 as Ligand Directed Degraders CELGENE CORPORATION (US) 2024-01-25 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US disclosed
US-7173036-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-02-06 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-7163939-B2 Macrocyclic kinase inhibitors ABBOTT LABORATORIES (US) 2007-01-16 US disclosed
US-7157582-B2 Selective iGluR5 receptor antagonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 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 (12 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF HRH3 568/4885CYP2D6 2113/4885LMNA 1366/4885
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA HRH3 1257/4885CYP2D6 123/4885LMNA 3906/4885
US-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ HRH3 1202/4885CYP2D6 2574/4885LMNA 2603/4885
US-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS HRH3 2060/4885CYP2D6 3139/4885LMNA 4882/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC HRH3 1799/4885CYP2D6 3734/4885LMNA 659/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 HRH3 1264/4885CYP2D6 812/4885LMNA 4454/4885
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia SLC5A1, REN, AQP1 HRH3 1254/4885CYP2D6 1275/4885LMNA 3466/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN HRH3 2096/4885CYP2D6 4738/4885LMNA 2534/4885
US-20240025851-A1 Modulators of BCL6 as Ligand Directed Degraders BCL6, BCL6B, BCL3 HRH3 2776/4885CYP2D6 3573/4885LMNA 2702/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR HRH3 34/4885CYP2D6 730/4885LMNA 3394/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE HRH3 389/4885CYP2D6 642/4885LMNA 553/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 HRH3 3657/4885CYP2D6 2619/4885LMNA 3667/4885

“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.