SCHEMBL3009277

SCHEMBL3009277

CC(C)n1cnc(CC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 2/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ KDM5A P29375 8/20 0.35
▸ HTT P42858 1/20 0.33
▸ ADA P00813 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
SCHEMBL3014472 0.85 KDM5A (0.36) CPB2KDM5AADA
Hydrochloric Acid SCHEMBL9095682 0.81 CPA1 (0.34) CPB2CPA1CDK5CDK5R1
SCHEMBL2176873 0.77 CYP2C9 (0.53) CPB2HTT
SCHEMBL11477981 0.76 CPA1 (0.35) CPB2CPA1CDK5CDK5R1KDM5A
SCHEMBL19750174 0.76 CPB2 (0.46) CPB2CPA1
SCHEMBL16978267 0.76 CPB2 (0.40) CPB2CPA1CDK5CDK5R1KDM5A
SCHEMBL6124221 0.74 CPA1 (0.33) CPB2CPA1CDK5CDK5R1KDM5A
SCHEMBL24268206 0.73 ADA (0.53) KDM5AADA
SCHEMBL1402037 0.73 CYP2C9 (0.58) CPB2CPA1CDK5CDK5R1
SCHEMBL2998713 0.72 ALDH1A1 (0.37) CPB2HTT

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
US-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH IP EE B.V. (NL) 2010-08-05 — — US disclosed
EP-2167474-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES Valletta Health IP EE B.V. (NL) 2010-03-31 — — EP disclosed
WO-2008153385-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH B.V. (NL) 2008-12-18 — — WO 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 CPB2 903/4885CPA1 165/4885CDK5 3439/4885

“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.

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