SCHEMBL4774977

SCHEMBL4774977

COc1ccc(C(O)C(C)NC(=O)CCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
ALDH1A1 P00352 5/20 0.46
GPR88 Q9GZN0 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ASAH1 Q13510 1/20 0.44
ACER2 Q5QJU3 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL13898948 0.83 ALDH1A1 (0.63) CNR2ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4865267 0.81 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTASAH1
SCHEMBL4866148 0.81 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTASAH1
SCHEMBL4866142 0.81 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTASAH1
SCHEMBL3014291 0.81 NPY5R (0.49) CNR2ALDH1A1GPR88MEN1KMT2A
SCHEMBL19975546 0.81 NPY5R (0.49) CNR2ALDH1A1GPR88MEN1KMT2A
SCHEMBL3014293 0.81 NPY5R (0.49) CNR2ALDH1A1GPR88MEN1KMT2A
SCHEMBL18082662 0.81 ACACB (0.57) ALDH1A1GPR88MEN1KMT2ANPSR1
SCHEMBL4865275 0.81 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTASAH1
SCHEMBL8742437 0.78 SMN1; SMN2 (0.50) ALDH1A1GPR88LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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 (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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B CNR2 1099/4885ALDH1A1 416/4885GPR88 3542/4885
US-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A CNR2 1179/4885ALDH1A1 382/4885GPR88 2711/4885

“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.