SCHEMBL1615890

SCHEMBL1615890

COc1ccccc1-c1cccc(-n2cnc3cc([C@H](C)NC(C)=O)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.48
FGFR1 P11362 7/20 0.44
SRC P12931 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1616567 1.00 ADRA2B (0.48) ADRA2BFGFR1SRCNPC1RAB9A
SCHEMBL1616915 0.91 FGFR1 (0.44) ADRA2BFGFR1SRCNPC1RAB9A
SCHEMBL1616540 0.90 ADRA2B (0.44) ADRA2BFGFR1SRCNPC1RAB9A
SCHEMBL1617115 0.90 ADRA2B (0.44) ADRA2BFGFR1SRCNPC1RAB9A
SCHEMBL1616031 0.88 NPC1 (0.46) ADRA2BFGFR1SRCNPC1RAB9A
SCHEMBL1617011 0.88 NPC1 (0.46) ADRA2BFGFR1SRCNPC1RAB9A
SCHEMBL1616093 0.86 NPC1 (0.53) FGFR1NPC1RAB9AGABRA1GABRG2
SCHEMBL1616776 0.86 NPC1 (0.53) FGFR1NPC1RAB9AGABRA1GABRG2
SCHEMBL1617120 0.86 NPC1 (0.53) FGFR1NPC1RAB9AGABRA1GABRG2
SCHEMBL1761822 0.86 GABRA1 (0.47) ADRA2BFGFR1SRCGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996556-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-11-18 EP claimed
EP-1996556-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-12-03 EP claimed
WO-2007065864-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-06-14 WO claimed
US-7923464-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-04-12 US disclosed
EP-1996556-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-11-18 EP disclosed
US-20090048321-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA-Alpha Receptor Complex ANIONA APS (DK) 2009-02-19 US disclosed
EP-1996556-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-12-03 EP disclosed
WO-2007065864-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-06-14 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-20090048321-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA-Alpha Receptor Complex GABRB1, GABRB2, GABRB3 ADRA2B 84/4885FGFR1 3792/4885SRC 3702/4885

“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.