SCHEMBL7086855

SCHEMBL7086855

Brc1cc2[nH]cnc2c(Br)c1NC1=NCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.48
HTR1B P28222 3/20 0.48
CFB P00751 4/20 0.47
ADRA2C P18825 10/20 0.47
ADRA1A P35348 7/20 0.47
KCNH2 Q12809 1/20 0.47
ADRA2A P08913 9/20 0.43
ADRA2B P18089 9/20 0.43
ADRA1D P25100 7/20 0.43
ADRA1B P35368 6/20 0.43
BLM P54132 4/20 0.43
LMNA P02545 4/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HTR1A P08908 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6584946 0.87 HTR1D (0.52) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7027643 0.80 ADRA2C (0.46) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7086859 0.79 CFB (0.50) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL2215760 0.77 ADRA2A (0.67) HTR1DHTR1BADRA2CADRA1AADRA2A
SCHEMBL29938904 0.77 ADRA2A (0.67) HTR1DHTR1BADRA2CADRA1AADRA2A
SCHEMBL6585037 0.76 HTR1D (0.55) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7033822 0.74 ADRA2C (0.52) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7033827 0.74 ADRA2C (0.49) HTR1DHTR1BCFBADRA2CADRA1A
SCHEMBL7032886 0.72 ADRA2A (0.46) HTR1DHTR1BADRA2CADRA1AADRA2A
SCHEMBL7028929 0.72 ADRA2A (0.46) HTR1DHTR1BCFBADRA2CADRA1A

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
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

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 HTR1D 495/4885HTR1B 651/4885CFB 4100/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 HTR1D 491/4885HTR1B 654/4885CFB 4098/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 HTR1D 523/4885HTR1B 538/4885CFB 3494/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 HTR1D 495/4885HTR1B 651/4885CFB 4100/4885

“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.