SCHEMBL7033862

SCHEMBL7033862

Nc1ccc2c(c1)ncn2C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 9/20 0.53
HPGD P15428 8/20 0.53
NPC1 O15118 3/20 0.53
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
IKZF3 Q9UKT9 1/20 0.53
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GFER P55789 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.51
FGFR1 P11362 1/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL15531907 0.97 GAA (0.55) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL7025961 0.89 DDB1 (0.56) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL1865660 0.86 DDB1 (0.53) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL3830762 0.84 DDB1 (0.49) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL29190582 0.81 DDB1 (0.58) GAAHSD17B10DDB1CRBNIKZF3
SCHEMBL3356346 0.81 DDB1 (0.49) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL2943825 0.80 GAA (0.58) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL18250724 0.80 GAA (0.58) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL1868756 0.80 GAA (0.52) GAAHSD17B10ALDH1A1HPGDNPC1
SCHEMBL18250725 0.79 GAA (0.61) GAAHSD17B10ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 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 (4 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 GAA 4379/4885HSD17B10 1553/4885ALDH1A1 938/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 GAA 4317/4885HSD17B10 1553/4885ALDH1A1 923/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 GAA 4272/4885HSD17B10 1556/4885ALDH1A1 1022/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 GAA 4379/4885HSD17B10 1553/4885ALDH1A1 938/4885

“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.