SCHEMBL7030876

SCHEMBL7030876

CC(C)Cn1cnc2ccc(N)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
MAPK14 Q16539 1/20 0.46
APAF1 O14727 1/20 0.42
LMNA P02545 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
NUDT1 P36639 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LCK P06239 1/20 0.39

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
SCHEMBL7034018 0.87 MAPT (0.64) POLBMAPTHSD17B10CHRNB2CHRNA4
SCHEMBL12767952 0.82 POLB (0.66) POLBCHRNB2CHRNA4MAPK14APAF1
SCHEMBL15910681 0.81 MAPT (0.51) MAPTHSD17B10LMNAKDM4ECYP11B1
SCHEMBL19911423 0.81 MAPT (0.51) POLBMAPTHSD17B10KCNH2KDM4E
SCHEMBL19553508 0.81 POLB (0.56) POLBCHRNB2CHRNA4MAPK14APAF1
SCHEMBL1528531 0.81 POLB (0.59) POLBCHRNB2CHRNA4MAPK14APAF1
SCHEMBL18250244 0.81 POLB (0.59) POLBMAPTHSD17B10CHRNB2CHRNA4
SCHEMBL29340893 0.81 POLB (0.59) POLBCHRNB2CHRNA4MAPK14APAF1
SCHEMBL7034010 0.79 MAPT (0.57) MAPTHSD17B10CHRNB2CHRNA4LMNA
SCHEMBL29340890 0.78 POLB (0.56) POLBMAPTCHRNB2CHRNA4MAPK14

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 POLB 2195/4885MAPT 4094/4885HSD17B10 1553/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 POLB 2108/4885MAPT 4095/4885HSD17B10 1553/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 POLB 1552/4885MAPT 4207/4885HSD17B10 1556/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 POLB 2195/4885MAPT 4094/4885HSD17B10 1553/4885

“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.