SCHEMBL7033822

SCHEMBL7033822

Brc1c(NC2=NCCN2)cc(Br)c2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 14/20 0.52
ADRA2A P08913 14/20 0.52
ADRA2B P18089 13/20 0.52
ADRA1D P25100 10/20 0.52
ADRA1B P35368 9/20 0.52
ADRA1A P35348 9/20 0.52
KDM4E B2RXH2 1/20 0.52
NR1I2 O75469 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
BLM P54132 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7033827 0.90 ADRA2C (0.49) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL7087699 0.87 ADRA2A (0.53) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL7029436 0.87 ADRA2C (0.51) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL7087704 0.82 ADRA2A (0.47) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL7029441 0.82 HTR1D (0.49) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL29938904 0.77 ADRA2A (0.67) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL2215760 0.77 ADRA2A (0.67) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL2215762 0.75 ADRA2A (0.64) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL7027639 0.75 ADRA2C (0.51) ADRA2CADRA2AADRA2BADRA1DADRA1B
SCHEMBL7086859 0.74 CFB (0.50) ADRA2CADRA2AADRA2BADRA1DADRA1B

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 ADRA2C 42/4885ADRA2A 123/4885ADRA2B 98/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 ADRA2C 38/4885ADRA2A 116/4885ADRA2B 88/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 ADRA2C 44/4885ADRA2A 138/4885ADRA2B 76/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 ADRA2C 42/4885ADRA2A 123/4885ADRA2B 98/4885

“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.