SCHEMBL13752133

SCHEMBL13752133

CC(CCOc1ccccc1)C[C@@H]1CNC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SLC5A1 P13866 1/20 0.39
HPGD P15428 1/20 0.37
ACACB O00763 1/20 0.37
SYK P43405 3/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNA3 P22001 1/20 0.34

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
SCHEMBL3120785 0.79 PDE4A (0.33) SYKTSHRPDE4APDE4BPDE4C
SCHEMBL1268393 0.76 SYK (0.51) ALDH1A1SYKTDP1MAOB
SCHEMBL3113037 0.74 PDE4A (0.33) ALDH1A1SYKTSHRMAPTNPC1
SCHEMBL3113044 0.74 PDE4A (0.33) ALDH1A1SYKTSHRMAPTNPC1
SCHEMBL3117803 0.74 PDE4A (0.33) ALDH1A1SYKTSHRMAPTNPC1
SCHEMBL3123007 0.73 PDE4A (0.37) SYKTSHRPDE4APDE4BPDE4C
SCHEMBL8312995 0.73 SMN1; SMN2 (0.33) ALDH1A1TSHRNPC1RAB9A
SCHEMBL3123022 0.73 PDE4A (0.37) SYKTSHRPDE4APDE4BPDE4C
SCHEMBL9503356 0.72 KCNA3 (0.58) ALDH1A1TDP1MAOASIGMAR1KCNA3
SCHEMBL3117336 0.70 TSHR (0.33) ALDH1A1SYKTSHRNPC1RAB9A

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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US disclosed
US-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-7164034-B2 Alpha2delta ligands for fibromyalgia and other disorders PFIZER INC. (US) 2007-01-16 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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 ALDH1A1 775/4885SLC5A1 727/4885HPGD 2289/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 ALDH1A1 1174/4885SLC5A1 1868/4885HPGD 3085/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 ALDH1A1 775/4885SLC5A1 727/4885HPGD 2289/4885

“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.