SCHEMBL7787412

SCHEMBL7787412

CC(=O)NC[C@H](CC(=O)O)CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.55
ADRA1A P35348 2/20 0.55
CACNB3 P54284 1/20 0.55
CACNA1C Q13936 1/20 0.55
PGR P06401 1/20 0.55
HTR2B P41595 1/20 0.55
CACNA2D2 Q9NY47 1/20 0.55
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
MAPT P10636 1/20 0.37
MME P08473 2/20 0.37
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KISS1R Q969F8 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 1/20 0.33

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
SCHEMBL23182426 1.00 CACNA2D1 (0.55) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL7782653 1.00 CACNA2D1 (0.55) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL4882397 0.86 CACNA2D1 (0.57) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL28474689 0.86 CACNA2D1 (0.57) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL13990313 0.86 ALDH1A1 (0.44) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL18125945 0.86 CACNA2D1 (0.57) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL4882396 0.86 CACNA2D1 (0.57) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL28479280 0.85 CACNA2D1 (0.55) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL18508446 0.83 CACNA2D1 (0.53) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL18508351 0.83 CACNA2D1 (0.53) CACNA2D1ADRA1ACACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023082003-A1 NEW CANNABINOID-GABAPENTINOID CONJUGATES AND USES THEREOF LONDON PHARMACEUTICALS AND RESEARCH CORPORATION (CA) 2023-05-19 WO disclosed
EP-3148969-B1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS KETOGEN INC (CA) 2020-11-11 EP disclosed
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen, Inc. (CA) 2017-02-16 US disclosed
US-9481637-B2 Compounds for the treatment of seizures and other central nervous systems disorders and conditions Ketogen Inc. (CA) 2016-11-01 US disclosed
WO-2015184542-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen Inc. (CA) 2015-12-10 WO disclosed
US-20150344413-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen Inc. (CA) 2015-12-03 US disclosed
US-8063244-B2 Process for the synthesis of pregabalin DIPHARMA FRANCIS S.R.L. (IT) 2011-11-22 US disclosed
US-20100292506-A1 PROCESS FOR THE SYNTHESIS OF PREGABALIN DIPHARMA FRANCIS S.R.L. (IT) 2010-11-18 US disclosed
US-20090143615-A1 Process for the Preparation of (S)(+)-3-(Aminomethyl)-5-Methylhexanoic Acid DIPHARMA FRANCIS S.R.L. (IT) 2009-06-04 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 (4 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-20090143615-A1 Process for the Preparation of (S)(+)-3-(Aminomethyl)-5-Methylhexanoic Acid HPD, ALKBH5, PAH CACNA2D1 2993/4885ADRA1A 947/4885CACNB3 2825/4885
US-20100292506-A1 PROCESS FOR THE SYNTHESIS OF PREGABALIN GABRB2, GABBR1, GABBR2 CACNA2D1 126/4885ADRA1A 343/4885CACNB3 187/4885
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS PC, PYGB, GLS2 CACNA2D1 2099/4885ADRA1A 2617/4885CACNB3 933/4885
US-20150344413-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS PC, PYGB, GLS2 CACNA2D1 2099/4885ADRA1A 2617/4885CACNB3 933/4885

“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.