SCHEMBL12293104

SCHEMBL12293104

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 2/20 0.44
CHRM1 P11229 1/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL18587334 0.84 GAA (0.45) GAAALDH1A1NPC1CHRM1THRB
SCHEMBL13035354 0.83 GAA (0.45) GAAALDH1A1NPC1CHRM1THRB
SCHEMBL12928342 0.83 GAA (0.49) GAAALDH1A1CHRM1THRBATM
SCHEMBL4275238 0.83 ALDH1A1 (0.42) GAAALDH1A1NPC1CHRM1L3MBTL1
SCHEMBL8262696 0.83 ALDH1A1 (0.44) GAAALDH1A1NPC1CHRM1THRB
SCHEMBL12988938 0.82 GAA (0.47) GAAALDH1A1CHRM1THRBATM
SCHEMBL12898880 0.82 GAA (0.44) GAAALDH1A1NPC1CHRM1THRB
SCHEMBL12198952 0.81 ALDH1A1 (0.43) GAAALDH1A1NPC1CHRM1THRB
SCHEMBL12347952 0.80 ALDH1A1 (0.40) GAAALDH1A1NPC1CHRM1THRB
SCHEMBL1267094 0.80 GAA (0.65) GAAALDH1A1NPC1CHRM1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281476-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
EP-2364705-A2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP 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-20130281476-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 GAA 3044/4885ALDH1A1 2356/4885NPC1 1160/4885

“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.