SCHEMBL2650751

SCHEMBL2650751

CN1CCN(c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.49
CYP2D6 P10635 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 3/20 0.49
USP2 O75604 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HIF1A Q16665 1/20 0.49
HRH1 P35367 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HPGD P15428 1/20 0.45
SLC2A1 P11166 1/20 0.43
KDR P35968 5/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
TSHR P16473 1/20 0.40

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
SCHEMBL2648823 0.87 KDR (0.44) CYP1A2CYP2D6ALDH1A1CYP3A4USP2
SCHEMBL2650274 0.85 KDR (0.56) HRH4HPGDKDR
SCHEMBL7819821 0.84 KDR (0.49) ALDH1A1HPGDKDRNT5E
SCHEMBL2652084 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDKDR
SCHEMBL2940257 0.82 GPR119 (0.45) ALDH1A1HPGD
SCHEMBL2648039 0.82 KDR (0.40) ALDH1A1HPGDSLC2A1KDR
SCHEMBL7830383 0.82 KDR (0.45) CYP1A2CYP2D6ALDH1A1CYP3A4CLK4
SCHEMBL2648242 0.81 KDR (0.41) ALDH1A1HPGDSLC2A1KDRHSD17B10
SCHEMBL6856564 0.81 ATM (0.38) ALDH1A1HPGDSLC2A1KDRNT5E
SCHEMBL8260873 0.81 TBK1 (0.41) ALDH1A1HPGDKDRTSHRNT5E

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 13 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
CN-1115336-C 1-phenyl-benzimidazole compounds and their use as BAGA-A receptor modulator NEUROSEARCH AS (DK) 2003-07-23 CN 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 CYP1A2 69/4885CYP2D6 215/4885ALDH1A1 192/4885

“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.