SCHEMBL3112043

SCHEMBL3112043

CCCC(C)CC1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
DPP4 P27487 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6460376 0.87 POLB (0.46) HPGDDPP4SMN1; SMN2ALDH1A1LMNA
SCHEMBL3012840 0.86 HPGD (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL3012837 0.86 HPGD (0.56) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL13036597 0.82 HPGD (0.60) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL8479659 0.81 HPGD (0.50) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL18896306 0.80 POLB (0.34) PKMSMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL9456288 0.77 HPGD (0.52) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL9456344 0.77 HPGD (0.62) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL7436181 0.77 HPGD (0.62) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL8312108 0.76 KMT2A (0.54) HPGDALDH1A1KMT2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172197-A1 Octanoic acid derivative to treat fibromyalgia and other pains Warner-Lambert Company LLC (US) 2010-04-07 EP disclosed
EP-1192125-B9 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2009-09-16 EP disclosed
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
EP-1192125-B1 MONO-SUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER LAMBERT CO (US) 2008-12-31 EP disclosed
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 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-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
EP-1840117-A1 Mono- and disubstituted 3-propyl gamma-aminobutyric acids Warner-Lambert Company LLC (US) 2007-10-03 EP disclosed
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2004-04-01 US disclosed
US-6642398-B2 Improving drug qualities such as bioavailability and stability WARNER-LAMBERT COMPANY 2003-11-04 US disclosed
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2003-09-25 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 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 (6 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 HPGD 2289/4885TSHR 825/4885PDE4A 2057/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D HPGD 598/4885TSHR 447/4885PDE4A 481/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 HPGD 505/4885TSHR 3180/4885PDE4A 4121/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 HPGD 2289/4885TSHR 825/4885PDE4A 2057/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 HPGD 1838/4885TSHR 1238/4885PDE4A 1214/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 HPGD 1838/4885TSHR 1238/4885PDE4A 1214/4885

“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.