SCHEMBL6790720

SCHEMBL6790720

CC(C)Cc1cc(NC2=NCCN2)cc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFB P00751 2/20 0.46
ADRA2A P08913 14/20 0.43
ADRA2B P18089 13/20 0.43
ADRA2C P18825 13/20 0.43
GPR65 Q8IYL9 1/20 0.41
PTGIR P43119 2/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40

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
SCHEMBL6781383 0.82 CFB (0.48) CFBADRA2AADRA2BADRA2CGPR65
SCHEMBL6781878 0.82 CFB (0.44) CFBADRA2AADRA2BADRA2CPTGIR
SCHEMBL6781873 0.82 CFB (0.44) CFBADRA2AADRA2BADRA2CPTGIR
SCHEMBL8126007 0.81 ADRA2B (0.43) CFBADRA2AADRA2BADRA2CADRA1D
SCHEMBL6791315 0.80 CFB (0.61) CFBADRA2AADRA2BADRA2CPTGIR
SCHEMBL6789271 0.78 ADRA2A (0.50) CFBADRA2AADRA2BADRA2CPTGIR
SCHEMBL6786823 0.78 CFB (0.54) CFBADRA2AADRA2BADRA2CADRA1D
SCHEMBL8126010 0.76 CFB (0.47) CFBADRA2AADRA2BADRA2CPTGIR
SCHEMBL6786981 0.75 ADRA2A (0.47) CFBADRA2AADRA2BADRA2CPTGIR
SCHEMBL6781877 0.75 CFB (0.46) CFBADRA2AADRA2BADRA2CPTGIR

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 CFB 4323/4885ADRA2A 5/4885ADRA2B 4/4885
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof ADRB2, BDKRB2, ADRB1 CFB 4419/4885ADRA2A 7/4885ADRA2B 4/4885

“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.