SCHEMBL5133377

SCHEMBL5133377

CCCN(CC1CC1)c1cnc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.46
CRHR1 P34998 3/20 0.46
AR P10275 1/20 0.45
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
HCAR3 P49019 1/20 0.42

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
SCHEMBL5133381 0.79 AR (0.49) S1PR1CRHR1AR
SCHEMBL6469271 0.75 SIRT6 (0.41) CRHR1HCAR3
SCHEMBL2770688 0.74 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL15372625 0.71 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL5042470 0.71 HCAR3 (0.46) ARHCAR3
SCHEMBL7519109 0.70 CRHR1 (0.71) S1PR1CRHR1
SCHEMBL30482977 0.69 SIRT6 (0.46) HCAR3
SCHEMBL5133491 0.69 HCAR3 (0.43) ARHCAR3
SCHEMBL2833446 0.68 CRHR1 (0.43) S1PR1CRHR1S1PR3S1PR5HCAR3
SCHEMBL3031151 0.68 S1PR1 (0.61) S1PR1S1PR3S1PR5

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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA S1PR1 2060/4885CRHR1 1005/4885AR 2835/4885

“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.