SCHEMBL1267331

SCHEMBL1267331

COc1ccccc1C1(O)CC2CCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HTR1A P08908 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
GRM5 P41594 5/20 0.43
SIGMAR1 Q99720 1/20 0.43
CHRM4 P08173 2/20 0.41
CHRM5 P08912 1/20 0.41
KDM1A O60341 1/20 0.41
HSD11B1 P28845 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL30020976 0.84 GPR119 (0.42) ALDH1A1TSHRCHRM2CHRM1CHRM3
SCHEMBL24700590 0.82 CHRM2 (0.49) ALDH1A1DRD2HTR1ACHRM2CHRM1
SCHEMBL12345392 0.82 CHRM2 (0.49) ALDH1A1DRD2HTR1ACHRM2CHRM1
SCHEMBL2877584 0.82 CHRM2 (0.44) ALDH1A1TSHRDRD2DRD3CHRM2
SCHEMBL17200972 0.80 SIGMAR1 (0.47) ALDH1A1TSHRDRD2CHRM2CHRM1
SCHEMBL8586983 0.79 SLC6A4 (0.61) ALDH1A1TSHRDRD2DRD3HTR1A
SCHEMBL8207978 0.78 POLB (0.48) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL6160222 0.78 OPRM1 (0.53) TSHRSIGMAR1CHRM4KDM1AGPR119
SCHEMBL2587471 0.77 GPR119 (0.46) HTR1ACHRM2CHRM1CHRM3GRM5
SCHEMBL8531506 0.77 CHRM2 (0.52) ALDH1A1DRD2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US disclosed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO 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-20060287303-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885TSHR 131/4885DRD2 757/4885

“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.