SCHEMBL2963434

SCHEMBL2963434

CC(OCc1cccc(-n2cnc3cc(CN4CCCC4)ccc32)c1)c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
DRD4 P21917 2/20 0.38
HPGD P15428 8/20 0.38
KDR P35968 5/20 0.37
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FGFR1 P11362 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL2977950 0.87 FGFR1 (0.39) KDRSMN1; SMN2FGFR1GABRA1GABRG2
SCHEMBL2974092 0.87 FGFR1 (0.38) HPGDSMN1; SMN2FGFR1GABRA1GABRG2
SCHEMBL2976805 0.87 PRKCI (0.44) SMN1; SMN2FGFR1GABRPGABRDGABRA1
SCHEMBL2652210 0.85 HPGD (0.42) SIGMAR1DRD4HPGDKDRALDH1A1
SCHEMBL2966390 0.81 FGFR1 (0.44) HPGDALDH1A1SMN1; SMN2FGFR1
SCHEMBL2659958 0.81 PRKCI (0.35) SMN1; SMN2FGFR1GABRA1GABRG2GABRB3
SCHEMBL2652696 0.80 FGFR1 (0.36) HPGDSMN1; SMN2FGFR1GABRA1GABRG2
SCHEMBL2964600 0.78 HPGD (0.45) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2966414 0.76 GAA (0.42) SIGMAR1DRD4HPGDKDRALDH1A1
SCHEMBL2652208 0.76 SIGMAR1 (0.43) SIGMAR1DRD4HPGDKDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US claimed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US claimed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US 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-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 SIGMAR1 178/4885DRD4 730/4885HPGD 1855/4885

“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.