SCHEMBL3012837

SCHEMBL3012837

CC(C)C[C@H]1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
DPP4 P27487 2/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.44

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
SCHEMBL3012840 1.00 HPGD (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL3112043 0.86 HPGD (0.51) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL3867596 0.86 POLB (0.49) HPGDDPP4SMN1; SMN2ALDH1A1LMNA
SCHEMBL3866848 0.86 POLB (0.49) HPGDDPP4SMN1; SMN2ALDH1A1LMNA
SCHEMBL3876317 0.86 POLB (0.49) HPGDDPP4SMN1; SMN2ALDH1A1LMNA
SCHEMBL13036597 0.83 HPGD (0.60) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL8479659 0.82 HPGD (0.50) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL9456288 0.82 HPGD (0.52) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL7436181 0.81 HPGD (0.62) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL9456344 0.81 HPGD (0.62) HPGDTSHRPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053040-A1 Pregabalin intermediates and process for preparing them and Pregabalin Chemo Ibérica, S.A. (ES) 2009-04-29 EP claimed
CN-101848905-A Process for the enantioselective preparation of pregabalin ESTEVE LABOR DR 2010-09-29 CN disclosed
US-20100197939-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100197939-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100197939-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
EP-2178855-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-04-28 EP disclosed
WO-2009053446-A2 PREGABALIN INTERMEDIATES AND PROCESS FOR PREPARING THEM AND PREGABALIN CHEMO IBÉRICA, S.A. (ES) 2009-04-30 WO disclosed
EP-2053040-A1 Pregabalin intermediates and process for preparing them and Pregabalin Chemo Ibérica, S.A. (ES) 2009-04-29 EP disclosed
WO-2009010554-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-22 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-20100197939-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN GABRE, CYP2D6, GABRG2 HPGD 536/4885TSHR 3410/4885PDE4A 1045/4885

“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.