SCHEMBL6771335

SCHEMBL6771335

CC(=O)N1CCc2cc(NC3=NCCN3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
ADRA2A P08913 6/20 0.53
ADRA2B P18089 6/20 0.53
ADRA2C P18825 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
NOTUM Q6P988 5/20 0.50
PLK1 P53350 1/20 0.48
HPGD P15428 1/20 0.47
TRIM24 O15164 1/20 0.47
LMNA P02545 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL6777769 0.79 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13002857 0.76 NOTUM (0.65) SYKSMN1; SMN2NPC1TP53MAPT
SCHEMBL9267504 0.75 SYK (0.54) SYKSMN1; SMN2NPC1TP53MAPT
SCHEMBL11682254 0.74 SMN1; SMN2 (0.70) SYKSMN1; SMN2NPC1TP53MAPT
SCHEMBL3767593 0.73 SMN1; SMN2 (0.72) SMN1; SMN2NPC1TP53MAPTRAB9A
SCHEMBL6072495 0.73 SYK (0.57) SYKSMN1; SMN2NPC1TP53MAPT
SCHEMBL14067050 0.73 SMN1; SMN2 (0.64) SYKSMN1; SMN2NPC1TP53MAPT
SCHEMBL14148139 0.72 NOTUM (0.60) SMN1; SMN2NPC1TP53MAPTRAB9A
SCHEMBL14067268 0.71 SMN1; SMN2 (0.65) SMN1; SMN2NPC1TP53MAPTRAB9A
SCHEMBL14590668 0.71 TRIM24 (0.65) SMN1; SMN2NPC1TP53MAPTRAB9A

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 5 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-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 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 SYK 1880/4885ADRA2A 4/4885ADRA2B 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.