SCHEMBL2758056

SCHEMBL2758056

CC[C@@H](C)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 10/20 0.49
DRD2 P14416 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 0.46
SLC18A3 Q16572 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PLD1 Q13393 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL2758072 0.90 MCHR2 (0.49) MCHR2DRD2SLC6A4KCNH2SLC18A3
SCHEMBL2758104 0.90 MCHR2 (0.52) MCHR2DRD2SLC6A4KCNH2ALDH1A1
SCHEMBL2758090 0.84 MCHR2 (0.52) MCHR2DRD2SLC6A4KCNH2ALDH1A1
SCHEMBL2758157 0.83 MCHR2 (0.48) MCHR2DRD2SLC6A4KCNH2ALDH1A1
SCHEMBL240548 0.83 MCHR2 (0.46) MCHR2DRD2SLC6A4KCNH2ALDH1A1
SCHEMBL240547 0.83 MCHR2 (0.46) MCHR2DRD2SLC6A4KCNH2ALDH1A1
SCHEMBL2758004 0.82 SIGMAR1 (0.53) MCHR2DRD2SLC6A4KCNH2
SCHEMBL13000018 0.82 SIGMAR1 (0.51) MCHR2DRD2SLC6A4KCNH2OPRM1
SCHEMBL2758065 0.81 MCHR2 (0.50) MCHR2DRD2SLC6A4KCNH2OPRM1
SCHEMBL2758045 0.81 MCHR2 (0.45) MCHR2DRD2SLC6A4KCNH2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885

“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.