SCHEMBL4101583

SCHEMBL4101583

O=C(O)N1CC[C@H](N2CCC(NC3CCCCC3OCc3ccccc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
KCNA5 P22460 1/20 0.40
CHRM1 P11229 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
AXL P30530 4/20 0.38
MERTK Q12866 4/20 0.38
MAPT P10636 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
PTGES O14684 3/20 0.37
PTGS2 P35354 3/20 0.37
SLC6A5 Q9Y345 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
SCHEMBL3407713 1.00 CHRM2 (0.47) CHRM2KCNA5CHRM1HRH3KDM4E
SCHEMBL13697341 0.88 JAK2 (0.49) CHRM2KDM4EALDH1A1MAPT
SCHEMBL1134427 0.79 STS (0.50) KDM4EALDH1A1MAPT
SCHEMBL3405533 0.79 STS (0.50) KDM4EALDH1A1MAPT
SCHEMBL8002644 0.79 STS (0.50) KDM4EALDH1A1MAPT
SCHEMBL8001931 0.78 MERTK (0.40) CHRM2KCNA5AXLMERTKADRB2
SCHEMBL13697321 0.77 STS (0.50) KDM4EALDH1A1MAPT
SCHEMBL3408089 0.74 OPRK1 (0.36)
SCHEMBL1929028 0.74 SMN1; SMN2 (0.54) CHRM2CHRM1HRH3
SCHEMBL8002677 0.72 KDM1A (0.53) KCNA5AXLMERTKADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 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 (1 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-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 CHRM1, CHRM2, CHRM3 CHRM2 2/4885KCNA5 204/4885CHRM1 1/4885

“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.