SCHEMBL5445706

SCHEMBL5445706

C[C@H]1CCC[C@]1(CN)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
CACNA2D1 P54289 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5436212 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5434156 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5434152 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5437250 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5434162 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5437247 1.00 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL1643333 0.95 CYP1A2 (0.46) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL7297015 0.93 CYP1A2 (0.49) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6379074 0.93 CYP1A2 (0.44) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5434578 0.89 CYP1A2 (0.41) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921835-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER LAMBERT COMPANY (US) 2005-07-26 US claimed
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-27 US claimed
US-20030212133-A1 Gabapentin analogues for sleep disorders BRYANS JUSTIN STEPHEN (GB) 2003-11-13 US claimed
CN-1436075-A Gabapentin analogues for sleep disorders WARNER LAMBERT CO (US) 2003-08-13 CN claimed
CN-101283995-A Different pharmaceutical uses alpha2delta ligands WARNER LAMBERT CO (US) 2008-10-15 CN disclosed
CN-100367946-C Gabapentin analogs for the treatment of fibromyalgia and other disorders WARNER LAMBERT CO (US) 2008-02-13 CN 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
US-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
US-20070161707-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-07-12 US disclosed
US-7141606-B2 Gabapentin analogues for sleep disorders WARNER-LAMBERT COMPANY (US) 2006-11-28 US disclosed
US-20040132636-A1 Pharmaceutical uses for alpha2delta ligands DOOLEY DAVID JAMES (US) 2004-07-08 US disclosed
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-27 US 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
US-6635673-B1 1-Aminomethyl-3,4-dimethyl-cyclopentyl acetic acid; epilepsy; neurodegenerative, neuropathological and gastrointestinal disorders; depression, anxiety, panic, pain WARNER-LAMBERT COMPANY 2003-10-21 US disclosed
CN-1436075-A Gabapentin analogues for sleep disorders WARNER LAMBERT CO (US) 2003-08-13 CN disclosed
EP-1032555-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-09-06 EP disclosed
WO-1999021824-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 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 (9 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-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 CYP1A2 3494/4885USP2 4204/4885ALDH1A1 3481/4885
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
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-20070161706-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 CYP1A2 347/4885USP2 4327/4885ALDH1A1 268/4885
US-20030212133-A1 Gabapentin analogues for sleep disorders GABRA1, SLC6A1, GABRB1 CYP1A2 866/4885USP2 4432/4885ALDH1A1 757/4885
US-20040132636-A1 Pharmaceutical uses for alpha2delta ligands ADRA1D, OPRD1, ADRA1A CYP1A2 438/4885USP2 4293/4885ALDH1A1 220/4885

“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.