SCHEMBL3635576

SCHEMBL3635576

CCC(C)C(C)C(N)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 9/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
CACNA2D1 P54289 2/20 0.36
CACNB3 P54284 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL6061991 1.00 ENPEP (0.38) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL6061611 1.00 ENPEP (0.38) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL120172 1.00 ENPEP (0.38) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL6061139 1.00 ENPEP (0.38) ENPEPGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL4453127 0.98 ENPEP (0.37) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL29952355 0.86 GABRP (0.39) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL10022857 0.86 GABRP (0.39) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL4993194 0.86 GABRP (0.39) ENPEPGABRPGABRDGABRA1GABRB1
SCHEMBL4738603 0.86 GABRP (0.39) ENPEPGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL5419953 0.84 ENPEP (0.38) ENPEPGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1886363-A Amino acids with affinity for the alpha2delta-protein WARNER LAMBERT CO (US) 2006-12-27 CN claimed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
CN-112689629-B For inhibiting Nav1.8 Pyridazine Compounds 利伯研究所公司 2024-04-23 CN disclosed
CN-117858875-A Hydroxy-and (halo) alkoxy-substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-09 CN disclosed
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
CN-117794537-A Solid dosage forms and dosing regimens comprising (2 r,3s,4s,5 r) -4- [ [3- (3, 4-difluoro-2-methoxy-phenyl) -4, 5-dimethyl-5- (trifluoromethyl) tetrahydrofuran-2-carbonyl ] amino ] pyridine-2-carboxamide 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
CN-117794918-A Substituted tetrahydrofuran analogues as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
CN-117794919-A N- (hydroxyalkyl (hetero) aryl) tetrahydrofurancarboxamide analogues as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
CN-117794920-A N- (hydroxyalkyl (hetero) aryl) tetrahydrofurancarboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
CN-110831926-B Tetrahydronaphtyl urea derivatives 持田制药株式会社 2023-11-21 CN disclosed
WO-2006100606-A2 PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION WARNER-LAMBERT COMPANY LLC (US) 2006-09-28 WO disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
WO-2006027681-A1 COMBINATION OF A 5-HT(1) RECEPTOR AGONIST AND AN ALPHA-2-DELTA LIGAND FOR THE TREATMENT OF MIGRAINE PFIZER LIMITED (GB) 2006-03-16 WO disclosed
WO-2006011050-A2 PYRIDINE DERIVATIVES PFIZER LIMITED (GB) 2006-02-02 WO disclosed
WO-2005092318-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (2 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 ENPEP 2248/4885GABRP 78/4885GABRD 111/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ENPEP 1898/4885GABRP 70/4885GABRD 100/4885

“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.