SCHEMBL13640789

SCHEMBL13640789

CCOC(=O)N[C@@H]1CC2(CCN(C[C@@H](C)C3CCCC3)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 8/20 0.43
DRD2 P14416 3/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 1/20 0.41
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
NAE1 Q13564 2/20 0.35
UBA3 Q8TBC4 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL13641017 1.00 MCHR2 (0.43) MCHR2DRD2SLC6A4KCNH2TSHR
SCHEMBL13640716 0.87 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2TSHR
SCHEMBL13640732 0.87 MCHR2 (0.45) MCHR2DRD2SLC6A4KCNH2TSHR
SCHEMBL17969877 0.81 MCHR2 (0.46) MCHR2DRD2SLC6A4KCNH2NAE1
SCHEMBL13640967 0.81 SIGMAR1 (0.35) KCNH2TSHRSIGMAR1OPRM1OPRD1
SCHEMBL13640896 0.80 MCHR2 (0.38) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL13643894 0.80 MCHR2 (0.41) MCHR2DRD2SLC6A4KCNH2SIGMAR1
SCHEMBL12084784 0.78 OPRM1 (0.43) MCHR2DRD2SLC6A4KCNH2NAE1
SCHEMBL652661 0.78 OPRM1 (0.43) MCHR2DRD2SLC6A4KCNH2NAE1
SCHEMBL12899290 0.77 MCHR2 (0.41) MCHR2DRD2SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 MCHR2 179/4885DRD2 491/4885SLC6A4 827/4885

“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.