SCHEMBL466295

SCHEMBL466295

CCOC(=O)CC1(CN)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
CACNA2D1 P54289 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPA1 O75762 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
ALOX15 P16050 1/20 0.34

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
Hydrochloric Acid SCHEMBL6578159 0.98 ALDH1A1 (0.55) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL23007584 0.95 ALDH1A1 (0.48) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL18573883 0.91 CYP1A2 (0.44) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL4577419 0.89 GAA (0.44) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL6575839 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL6099264 0.87 LMNA (0.44) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL7848700 0.87 GAA (0.46) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL11417985 0.84 GAA (0.40) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL466237 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL5592415 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120485-A2 METHODS OF TREATING PAIN WITH ALKYLXANTHINES AND ANTIEPILEPTICS AND COMPOSITIONS FOR USE THEREFOR CINERGEN, LLC (US) 2007-10-25 WO claimed
EP-0552240-B1 NEW METHOD OF TREATING DEPRESSION WARNER LAMBERT CO (US) 1998-03-18 EP claimed
EP-0446570-B1 Gabapentin and its derivatives for treating neurodegenerative diseases WARNER LAMBERT CO (US) 1995-08-02 EP claimed
EP-0458751-A1 Delivery system for cyclic amino acids with improved taste, texture and compressibility WARNER-LAMBERT COMPANY (US) 1991-11-27 EP claimed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US claimed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 US claimed
WO-2023115167-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
US-20230150922-A1 Fluorinated Derivatives of Gabapentin and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-18 US disclosed
WO-2021216753-A1 FLUORINATED DERIVATIVES OF GABAPENTIN AND METHODS OF USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2021-10-28 WO disclosed
US-8357723-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-22 US disclosed
US-8354455-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-15 US disclosed
US-8349901-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-08 US disclosed
WO-2012164055-A2 NEW COMPOUNDS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF PAIN LACER, S.A. (ES) 2012-12-06 WO disclosed
US-5091567-A Reacting cyclohexanone with phosphonoacetic acid ester, condensing with nitromethane, reducing, hydrolyzing GODECKE AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-5084479-A Aminomethylcycloalkylacetic acids for nervous system disorders WARNER-LAMBERT COMPANY (US) 1992-01-28 US disclosed
EP-0458751-A1 Delivery system for cyclic amino acids with improved taste, texture and compressibility WARNER-LAMBERT COMPANY (US) 1991-11-27 EP disclosed
EP-0446570-A2 Gabapentin and its derivatives for treating neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
US-5025035-A Administering antidepressants WARNER-LAMBERT COMPANY (US) 1991-06-18 US disclosed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US disclosed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 US 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-20230150922-A1 Fluorinated Derivatives of Gabapentin and Methods of Use Thereof GABRE, GABBR1, GABRB3 ALDH1A1 1279/4885CYP1A2 1530/4885USP2 4550/4885

“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.