SCHEMBL4755975

SCHEMBL4755975

CCC1CC(CN)(CC(=O)O)CC1CC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
CACNA2D1 P54289 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.30

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
SCHEMBL5436488 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL4755970 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5448092 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5441719 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5458824 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5453346 1.00 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5446651 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5447752 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5436131 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5437186 0.90 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1500773-A Cyclic amino acids and derivatives thereof useful as pharmaceutical agents ��ʲ 2004-06-02 CN claimed
US-20030212133-A1 Gabapentin analogues for sleep disorders BRYANS JUSTIN STEPHEN (GB) 2003-11-13 US claimed
CN-1276784-A Cyclic amino acids and their organisms as medicaments WARNER LAMBERT CO (US) 2000-12-13 CN claimed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY (US) 2007-12-20 US disclosed
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-11-29 US disclosed
US-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-09-13 US disclosed
WO-2007090661-A2 ACTIVE SUBSTANCE COMBINATION COMPRISING AZOLYLCARBINOL COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-08-16 WO disclosed
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
CN-1303059-C Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER LAMBERT CO (US) 2007-03-07 CN disclosed
US-7141606-B2 Gabapentin analogues for sleep disorders WARNER-LAMBERT COMPANY (US) 2006-11-28 US disclosed
US-7122678-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER-LAMBERT COMPANY (US) 2006-10-17 US disclosed
US-6921835-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER LAMBERT COMPANY (US) 2005-07-26 US disclosed
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN S (GB) 2005-07-21 US disclosed
US-20040180959-A1 Gabapentin analogues for fibromy algia and concomitant disorders DOOLEY DAVID JAMES (US) 2004-09-16 US disclosed
CN-1500773-A Cyclic amino acids and derivatives thereof useful as pharmaceutical agents ��ʲ 2004-06-02 CN disclosed
CN-1138755-C Cyclic amino acids and derivatives thereof as pharmaceuticals ��ʲ 2004-02-18 CN disclosed
US-20030212133-A1 Gabapentin analogues for sleep disorders BRYANS JUSTIN STEPHEN (GB) 2003-11-13 US disclosed
US-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 TAYLOR CHARLES PRICE (US) 2003-10-23 US disclosed
CN-1276784-A Cyclic amino acids and their organisms as medicaments WARNER LAMBERT CO (US) 2000-12-13 CN 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 (8 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-20070213401-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20040180959-A1 Gabapentin analogues for fibromy algia and concomitant disorders PKD2, CACNA1S, CACNA1B CYP1A2 3234/4885USP2 4830/4885ALDH1A1 1165/4885
US-20030199567-A1 Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 CACNG2, GABRB2, CACNG4 CYP1A2 534/4885USP2 1465/4885ALDH1A1 543/4885
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 CYP1A2 3494/4885USP2 4204/4885ALDH1A1 3481/4885
US-20030212133-A1 Gabapentin analogues for sleep disorders GABRA1, SLC6A1, GABRB1 CYP1A2 866/4885USP2 4432/4885ALDH1A1 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.