SCHEMBL2649958

SCHEMBL2649958

CN1CCN(c2cccc(-n3cnc4cc(C#N)ccc43)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.50
GABRD O14764 8/20 0.50
GABRA1 P14867 8/20 0.50
GABRB1 P18505 8/20 0.50
GABRG2 P18507 8/20 0.50
GABRB3 P28472 8/20 0.50
GABRA5 P31644 8/20 0.50
GABRA3 P34903 8/20 0.50
GABRA2 P47869 8/20 0.50
GABRB2 P47870 8/20 0.50
GABRA4 P48169 8/20 0.50
GABRE P78334 8/20 0.50
GABRA6 Q16445 8/20 0.50
GABRG1 Q8N1C3 8/20 0.50
GABRG3 Q99928 8/20 0.50
GABRQ Q9UN88 8/20 0.50
HPGD P15428 1/20 0.48
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
DRD2 P14416 3/20 0.45

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
SCHEMBL2650164 0.89 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2649935 0.88 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6754802 0.86 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1761687 0.85 USP2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6305484 0.85 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2650274 0.80 KDR (0.56) HPGD
SCHEMBL2650609 0.79 FGFR1 (0.55) HPGDMEN1KMT2AALDH1A1GLA
SCHEMBL8009170 0.78 FGFR1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5783610 0.78 FGFR1 (0.66) HPGDALDH1A1GLA
SCHEMBL5781457 0.78 FGFR1 (0.65) HPGDALDH1A1GLA

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 12 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-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

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 GABRP 17/4885GABRD 21/4885GABRA1 1/4885

“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.