SCHEMBL4249001

SCHEMBL4249001

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
PMP22 Q01453 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37

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
SCHEMBL23054117 0.92 CYP2D6 (0.48) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL4245452 0.92 CHRM2 (0.48) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL70308 0.92 CHRM2 (0.48) CYP2D6LMNABLMTSHRKMT2A
Hydrochloric Acid SCHEMBL7738556 0.90 CYP2D6 (0.46) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL6513544 0.83 CHRM2 (0.42) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL6285170 0.83 CHRM2 (0.42) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL6285175 0.83 CHRM2 (0.42) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL18510082 0.82 CYP2D6 (0.63) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL107090 0.82 CYP2D6 (0.63) CYP2D6LMNABLMTSHRKMT2A
SCHEMBL68389 0.82 CYP2D6 (0.63) CYP2D6LMNABLMTSHRKMT2A

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 4 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-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 CYP2D6 649/4885LMNA 4050/4885BLM 3253/4885
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 CYP2D6 4616/4885LMNA 4437/4885BLM 4058/4885
US-20040235863-A1 Morpholine-bridged pyrazolopyridine derivatives GUCY1A1, PDE1A, PDE3B CYP2D6 2737/4885LMNA 3343/4885BLM 2531/4885

“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.