SCHEMBL805269

SCHEMBL805269

CC(=O)CCCN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PAOX Q6QHF9 2/20 0.62
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
FPR3 P25089 2/20 0.47
FPR2 P25090 2/20 0.47
LMNA P02545 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADRA2C P18825 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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 SCHEMBL15169053 0.98 CYP1A2 (0.61) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
SCHEMBL279742 0.98 CYP1A2 (0.67) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
Hydrochloric Acid SCHEMBL11824629 0.96 CYP1A2 (0.64) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
Hydrochloric Acid SCHEMBL5205856 0.93 PAOX (0.60) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
Hydrochloric Acid SCHEMBL15168995 0.91 PAOX (0.69) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
SCHEMBL12522442 0.91 PAOX (0.69) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
SCHEMBL23373543 0.88 PAOX (0.59) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
SCHEMBL11880993 0.86 ALDH1A1 (0.60) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
SCHEMBL11523231 0.84 PAOX (0.85) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1
SCHEMBL13993956 0.84 ALDH1A1 (0.64) CYP1A2MAPK1SMN1; SMN2PAOXALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265616-A1 SPIROCYCLIC COMPOUND AS KRAS-G12C INHIBITOR Shanghai Euregen Biopharma Co., Ltd. (CN) 2023-10-25 EP disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-28 US disclosed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US disclosed
US-9283183-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-15 US disclosed
US-20150164795-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-18 US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
US-8912334-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-16 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20140171397-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-06-19 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
US-7491736-B2 Use as bronchodilators for treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-([4-(4-carbamoylpiperidin-1-ylmethyl)benzoyl]methylamino)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2009-02-17 US disclosed
US-20070293461-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-12-20 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US 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-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY GCKR, GRK4, GRK5 CYP1A2 4066/4885MAPK1 335/4885SMN1; SMN2 4628/4885
US-20140171397-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CYP1A2 377/4885MAPK1 2755/4885SMN1; SMN2 3175/4885
US-20150164795-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CYP1A2 377/4885MAPK1 2755/4885SMN1; SMN2 3175/4885
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CYP1A2 333/4885MAPK1 3316/4885SMN1; SMN2 4181/4885
US-20070293461-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM3, CHRM1 CYP1A2 383/4885MAPK1 3631/4885SMN1; SMN2 3893/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 CYP1A2 783/4885MAPK1 3526/4885SMN1; SMN2 4533/4885
US-20180179161-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CYP1A2 377/4885MAPK1 2755/4885SMN1; SMN2 3175/4885

“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.