SCHEMBL6789271

SCHEMBL6789271

Clc1cc(NC2=NCCN2)cc2cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.50
ADRA2B P18089 13/20 0.50
ADRA2C P18825 13/20 0.50
CYP2D6 P10635 2/20 0.49
NISCH Q9Y2I1 2/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
CFB P00751 2/20 0.48
LMNA P02545 3/20 0.48
BLM P54132 3/20 0.48
ADRA1D P25100 5/20 0.48
ADRA1A P35348 5/20 0.48
ADRA1B P35368 5/20 0.48
MEN1 O00255 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2C9 P11712 1/20 0.48
HRH2 P25021 1/20 0.48

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
SCHEMBL6791315 0.84 CFB (0.61) ADRA2AADRA2BADRA2CHTR1DHTR1B
SCHEMBL6786823 0.84 CFB (0.54) ADRA2AADRA2BADRA2CHTR1DHTR1B
SCHEMBL6781383 0.81 CFB (0.48) ADRA2AADRA2BADRA2CCFBADRA1D
SCHEMBL6788647 0.81 ADRA2A (0.47) ADRA2AADRA2BADRA2CCFBADRA1D
SCHEMBL8126010 0.80 CFB (0.47) ADRA2AADRA2BADRA2CCFBADRA1D
SCHEMBL6786981 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CCFBADRA1D
SCHEMBL6781877 0.79 CFB (0.46) ADRA2AADRA2BADRA2CCFBADRA1D
SCHEMBL6790720 0.78 CFB (0.46) ADRA2AADRA2BADRA2CCFBADRA1D
SCHEMBL8126007 0.78 ADRA2B (0.43) ADRA2AADRA2BADRA2CCFBADRA1D
SCHEMBL6764478 0.76 NISCH (0.58) ADRA2AADRA2BADRA2CNISCHADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723741-B2 ANALGESICS, SEDATIVES, ANESTHETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-20 US disclosed
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-06-05 US disclosed
US-6498177-B2 ALPHA 2 ADRENERGIC RECEPTOR AGONIST; ANALGESIC, SEDATIVE AND ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-24 US disclosed
US-20020049239-A1 Novel indole and benzothiazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-04-25 US disclosed
US-6303643-B1 THERAPY OF MIGRAINE HEADACHE, HYPERTENSION, ALCOHOL WITHDRAWAL, DRUG ADDICTION, RHEUMATOID ARTHRITIS, PRESBYOPIA, ISCHEMIC PAIN, SPASTICITY, DIARRHEA, NASAL CONGESTION, AND URINARY INCONTINENCE BY ADMINISTERING BENZOTHIAZOLE DERIVATIVE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-16 US disclosed
EP-0900080-A4 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 2000-12-13 EP disclosed
US-6159998-A Substituted indoles and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
US-6040451-A USED AS ANALGESIC, SEDATIVE AND ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-21 US disclosed
US-5948804-A ANAESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-09-07 US disclosed
EP-0900080-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-03-10 EP disclosed
US-5677321-A ANESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-10-14 US disclosed
WO-1997031636-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-09-04 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 (2 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-20020049239-A1 Novel indole and benzothiazole derivatives ADRB2, ADRB1, CNR2 ADRA2A 5/4885ADRA2B 4/4885ADRA2C 6/4885
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof ADRB2, BDKRB2, ADRB1 ADRA2A 7/4885ADRA2B 4/4885ADRA2C 6/4885

“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.