SCHEMBL2999033

SCHEMBL2999033

CCC(C)C(C)Cn1cncc1CC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.32
▸ CYP11B2 P19099 3/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ ACE2 Q9BYF1 4/20 0.30
▸ ACE P12821 3/20 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
SCHEMBL3007257 0.89 ACHE (0.32) CYP11B1CYP11B2TBXAS1
SCHEMBL3012494 0.77 CYP11B1 (0.35) CYP11B1CYP11B2TBXAS1
SCHEMBL3014473 0.75 GABRA1 (0.35) CYP11B1CYP11B2TBXAS1
SCHEMBL3014230 0.74 ICMT (0.45) —
SCHEMBL3001145 0.72 ICMT (0.47) —
SCHEMBL3009279 0.72 ALDH1A1 (0.36) CYP11B1CYP11B2TBXAS1
SCHEMBL2892358 0.70 CHRM5 (0.43) —
SCHEMBL2999032 0.69 CPB2 (0.41) —
SCHEMBL9267101 0.68 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL27781544 0.67 ACHE (0.32) —

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 CYP11B1 1429/4885CYP11B2 2098/4885TBXAS1 1946/4885

“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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