SCHEMBL5652391

SCHEMBL5652391

C1CCC([C@@H]2CCC[N]C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL5379768 1.00 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL7844516 1.00 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL7854415 1.00 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL7853235 0.97 ALDH1A1 (0.47) ALDH1A1NOS3NOS1NOS2
SCHEMBL9821231 0.92 ALDH1A1 (0.39) ALDH1A1NOS3NOS1NOS2
SCHEMBL7845053 0.92
SCHEMBL7856882 0.92 ALDH1A1 (0.39) ALDH1A1NOS3NOS1NOS2
SCHEMBL7853346 0.89 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL1366434 0.89 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2
SCHEMBL11221870 0.89 ALDH1A1 (0.44) ALDH1A1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US claimed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B ALDH1A1 416/4885NOS3 495/4885NOS1 302/4885

“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.