SCHEMBL4245452

SCHEMBL4245452

COC(=O)C1CCCC(C(=O)OC)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM3 P20309 1/20 0.48
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL70308 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL4249001 0.92 CYP2D6 (0.44) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL6513544 0.90 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL6285175 0.90 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL6285170 0.90 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7738552 0.88 CHRM2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7738558 0.88 CHRM2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL20642398 0.87 CHRM2 (0.43) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL16199255 0.87 TSHR (0.51) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL8264682 0.82 CHRM2 (0.44) CHRM2CHRM4CHRM3CHRNB2CHRNA4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 US disclosed
US-20060128700-A1 e.g. 2-[1-(2-Fluorobenzyl)-1H-indazol-3-yl]-5-(3-oxa-9-azabicyclo[3.3.1]non-9-yl)-4pyrimidinylamine; soluble guanylate cyclase stimulant; neurodegenerative diseases, cognition activator; Alhzeimer's, Parkinson's disease, Pick's syndrome, multiple sclerosis, HIV dementia, schizophrenia BAYER HEALTHCARE AG (DE) 2006-06-15 US disclosed
US-20040235863-A1 Morpholine-bridged pyrazolopyridine derivatives BAYER HEALTHCARE AG (DE) 2004-11-25 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 (3 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-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES OPRM1, OPRK1, OPRD1 CHRM2 140/4885CHRM4 132/4885CHRM3 15/4885
US-20060128700-A1 e.g. 2-[1-(2-Fluorobenzyl)-1H-indazol-3-yl]-5-(3-oxa-9-azabicyclo[3.3.1]non-9-yl)-4pyrimidinylamine; soluble guanylate cyclase stimulant; neurodegenerative diseases, cognition activator; Alhzeimer's, Parkinson's disease, Pick's syndrome, multiple sclerosis, HIV dementia, schizophrenia GUCY1B2, COG4, GUCY1A2 CHRM2 108/4885CHRM4 6/4885CHRM3 120/4885
US-20040235863-A1 Morpholine-bridged pyrazolopyridine derivatives GUCY1A1, PDE1A, PDE3B CHRM2 292/4885CHRM4 602/4885CHRM3 376/4885

“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.