SCHEMBL6777574

SCHEMBL6777574

CC1CCCc2cc(N)cnc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.37
HRH2 P25021 8/20 0.37
NOS3 P29474 5/20 0.35
NOS1 P29475 5/20 0.35
NOS2 P35228 5/20 0.35
LIMK1 P53667 1/20 0.33

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
SCHEMBL1688215 0.81 CXCR4 (0.37) HRH3HRH2NOS3NOS1NOS2
SCHEMBL20851571 0.81 CXCR4 (0.37) HRH3HRH2NOS3NOS1NOS2
SCHEMBL12346329 0.81 CXCR4 (0.37) HRH3HRH2NOS3NOS1NOS2
SCHEMBL20851269 0.79 HRH3 (0.38) HRH3HRH2
SCHEMBL22275573 0.79 HRH3 (0.38) HRH3HRH2
SCHEMBL20851248 0.79 HRH3 (0.38) HRH3HRH2
SCHEMBL12696397 0.79 ACHE (0.37) NOS3NOS1NOS2
SCHEMBL22275748 0.79 HRH3 (0.38) HRH3HRH2
SCHEMBL31378836 0.79 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL20851239 0.78 HRH3 (0.41) HRH3HRH2

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-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 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 HRH3 76/4885HRH2 24/4885NOS3 1289/4885

“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.