SCHEMBL12928342

SCHEMBL12928342

C#CCOC(=O)N1CCC(CC)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 4/20 0.43
CHRM1 P11229 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL12086348 0.84 GAA (0.46) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL12293104 0.83 GAA (0.47) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL8434541 0.83 GAA (0.62) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL12928344 0.83 GAA (0.44) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL12988938 0.83 GAA (0.47) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL18587334 0.81 GAA (0.45) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL4275238 0.80 ALDH1A1 (0.42) GAAALDH1A1CHRM1L3MBTL1MAPT
SCHEMBL12898880 0.79 GAA (0.44) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL926726 0.79 GAA (0.58) GAAALDH1A1CHRM1L3MBTL1THRB
SCHEMBL12086316 0.78 GAA (0.49) GAAALDH1A1CHRM1L3MBTL1THRB

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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-7879834-B2 spiro[indoline-3,4'-piperidine] derivatives, used for the treatment of nervous system disorders, chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects, Alzheimer's disiease, obesity or as analgesics and antidepressants VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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 (2 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-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 GAA 3044/4885ALDH1A1 2356/4885CHRM1 6/4885
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 GAA 4278/4885ALDH1A1 1353/4885CHRM1 6/4885

“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.