SCHEMBL6787690

SCHEMBL6787690

Cc1c(NC2=NCCN2)ccc2ncsc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.62
ADRA2B P18089 11/20 0.62
ADRA2C P18825 11/20 0.62
ADRA1D P25100 11/20 0.62
ADRA1A P35348 11/20 0.62
ADRA1B P35368 10/20 0.62
KDM4E B2RXH2 1/20 0.49
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7202832 0.79 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7207377 0.78 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7028091 0.77 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Povafonidine SCHEMBL7033956 0.75 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6785223 0.74 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7210059 0.71 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6790015 0.70 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4640308 0.70 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1741885 0.70 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29426313 0.70 ADRA2A (1.00) 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.