SCHEMBL2648919

SCHEMBL2648919

CCOC(=O)C(=CN1CC[N]CC1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
GLO1 Q04760 1/20 0.43
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 5/20 0.36
MAPT P10636 7/20 0.36
DHODH Q02127 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLIN1 O60240 1/20 0.36
POLB P06746 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR4 O95977 1/20 0.35

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 SCHEMBL28148061 0.82 NPSR1 (0.46) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL10787532 0.79 ALDH1A1 (0.62) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL7914014 0.79 NPSR1 (0.43) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL21986966 0.76 GLO1 (0.56) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL15214492 0.72 ALDH1A1 (0.70) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL27834732 0.72 NPSR1 (0.40) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL1144607 0.71 NPSR1 (0.39) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL21974583 0.71 NPSR1 (0.39) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL1144608 0.71 NPSR1 (0.39) NPSR1GLO1GAAALDH1A1MEN1
SCHEMBL3692708 0.71 GLO1 (0.44) NPSR1GLO1GAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP claimed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US claimed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US claimed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US claimed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP claimed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO claimed
EP-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP disclosed
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO disclosed
EP-0117474-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 NPSR1 213/4885GLO1 2616/4885GAA 660/4885

“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.