SCHEMBL7556092

SCHEMBL7556092

CC1CCc2ccc(CCCN)nc2N1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.52
ITGAV P06756 14/20 0.34
ITGB3 P05106 9/20 0.34
ITGB6 P18564 5/20 0.33
ITGB5 P18084 1/20 0.31
ITGA2B P08514 1/20 0.30

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
SCHEMBL20153763 0.83 PDE10A (0.54) PDE10AITGAVITGB3ITGB6ITGB5
SCHEMBL8343868 0.78 PDE10A (0.50) PDE10AITGAVITGB3ITGB6ITGB5
SCHEMBL21767449 0.76 PDE10A (0.44) PDE10AITGAVITGB6
SCHEMBL21767452 0.76 PDE10A (0.44) PDE10AITGAVITGB6
SCHEMBL19514916 0.75 ITGAV (0.45) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL21856499 0.74 PDE10A (0.42) PDE10AITGAVITGB3ITGB6
SCHEMBL21856498 0.74 PDE10A (0.42) PDE10AITGAVITGB3ITGB6
SCHEMBL19393940 0.74 ITGAV (0.46) PDE10AITGAVITGB3ITGB6
SCHEMBL4716711 0.72 ITGAV (0.55) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4253493 0.72 PDE10A (0.45) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252162-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
US-6472403-B2 IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-10-29 US disclosed
US-20020037889-A1 Alpha V integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-03-28 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-20020037889-A1 Alpha V integrin receptor antagonists ITGAV, ITGB3, ITGA5 PDE10A 3574/4885ITGAV 1/4885ITGB3 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.