SCHEMBL26641

SCHEMBL26641

CC1CCC(CN)(CC(=O)O)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
CACNA2D1 P54289 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
DPP4 P27487 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
SCHEMBL5441593 1.00 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5443335 1.00 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5434321 1.00 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5441592 1.00 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5434325 1.00 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL8337559 1.00 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5436210 1.00 CYP1A2 (0.64) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL5690730 0.98 CYP1A2 (0.62) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL5909676 0.98 CYP1A2 (0.62) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL5909675 0.98 CYP1A2 (0.62) 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 211 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4681116-B2 2011-05-11 JP claimed
US-20110039875-A1 PHARAMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY TRINITY LABORATORIES, INC. 2011-02-17 US claimed
EP-2184986-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY Trinity Laboratories, Inc. (US) 2010-05-19 EP claimed
EP-1009399-B1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER LAMBERT CO (US) 2010-03-24 EP claimed
WO-2009021058-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY TRINITY LABORTORIES, INC. (US) 2009-02-12 WO claimed
US-7423169-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2008-09-09 US claimed
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 US claimed
JP-3884486-B2 2007-02-21 JP claimed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 US claimed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2001042190-A1 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CYCLIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 2001-06-14 WO claimed
US-6127418-A USING, E.G. PREGABALAN, GAGAPENTIN, FOR A PATIENT WHO IS OR WILL RECEIVE NSAID THERAPY OR ALCOHOL ABUSE THERAPY; INFLAMMATORY BOWEL DISORDER; IRRITABLE BOWEL SYNDROME; CROHN'S DISEASE, ILEITIS, ISCHEMIC BOWEL DISEASE WARNER-LAMBERT COMPANY (US) 2000-10-03 US claimed
EP-1032555-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-09-06 EP claimed
EP-1009399-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER-LAMBERT COMPANY LLC (US) 2000-06-21 EP claimed
EP-0994704-A1 USE OF GABA ANALOGS SUCH AS GABAPENTIN IN THE MANUFACTURE OF A MEDICAMENT FOR TREATING INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 2000-04-26 EP claimed
EP-0974351-A2 Medicament for preventing and treating gastrointestinal damage JOUVEINAL (FR) 2000-01-26 EP claimed
WO-1999021824-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO claimed
WO-1999008671-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE WARNER-LAMBERT COMPANY (US) 1999-02-25 WO claimed
WO-1999008670-A1 GABA ANALOGS TO PREVENT AND TREAT GASTROINTESTINAL DAMAGE GUGLIETTA, ANTONIO 1999-02-25 WO claimed
WO-1998058641-A1 USE OF GABA ANALOGS SUCH AS GABAPENTIN IN THE MANUFACTURE OF A MEDICAMENT FOR TREATING INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1998-12-30 WO claimed

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-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 CYP1A2 1323/4885USP2 1225/4885ALDH1A1 495/4885

“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.