SCHEMBL6767374

SCHEMBL6767374

c1ccc(CN2CCc3ncc(NC4=NCCN4)cc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.58
ADRA2B P18089 7/20 0.58
ADRA2C P18825 7/20 0.58
FAAH O00519 3/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.45
DHFR P00374 1/20 0.43
PTGIR P43119 1/20 0.41

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
SCHEMBL6772530 0.84 ADRA2A (0.62) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL28169331 0.74 MEN1 (0.61) ADRA2AADRA2BFAAHMEN1NPC1
SCHEMBL6776886 0.74 ADRA2A (1.00) ADRA2AADRA2BADRA2C
SCHEMBL6772037 0.73 MEN1 (0.60) ADRA2AADRA2BFAAHMEN1NPC1
SCHEMBL13226236 0.73 MEN1 (0.60) ADRA2AADRA2BMEN1NPC1RAB9A
SCHEMBL14853095 0.73 MEN1 (0.60) ADRA2AADRA2BMEN1NPC1RAB9A
SCHEMBL14135200 0.72 MEN1 (0.59) ADRA2AADRA2BMEN1NPC1RAB9A
SCHEMBL6778024 0.70 ADRA2A (0.68) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL6772438 0.70 ADRA2A (0.68) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL6778031 0.70 ADRA2A (0.68) ADRA2AADRA2BADRA2CPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777426-B2 SELECTIVE AGONISTS FOR HUMAN ALPHA 2 ADRENERGIC RECEPTORS; TREATING PAIN, MIGRAINE, HEADACHES, GLAUCOMA; 2-(INDAN-5-YL)AMINO-2-IMIDAZOLINE FOR EXAMPLE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-08-17 US disclosed
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-02-14 US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 US disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 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 (1 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-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 ADRA2A 4/4885ADRA2B 6/4885ADRA2C 2/4885

“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.