SCHEMBL6785223

SCHEMBL6785223

Cc1cc(NC2=NCCN2)cc2ncsc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.50
ADRA2B P18089 13/20 0.50
ADRA2C P18825 13/20 0.50
ADRA1D P25100 4/20 0.50
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
HTR1D P28221 4/20 0.45
HTR1B P28222 3/20 0.45
PTGIR P43119 1/20 0.42

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
SCHEMBL6787686 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6781961 0.84 ADRA2C (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6790047 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL252113 0.80 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14660114 0.76 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6780959 0.76 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7028922 0.75 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6787690 0.74 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6790015 0.73 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7207377 0.73 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A

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.