SCHEMBL2998713

SCHEMBL2998713

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.33
▸ CPB2 Q96IY4 2/20 0.30
▸ CPB1 P15086 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL27803103 0.84 ALDH1A1 (0.36) ALDH1A1LMNACPB2CPB1
SCHEMBL27803109 0.83 CYP2C9 (0.35) ALDH1A1LMNACYP2C9TSHRCYP2C19
SCHEMBL2176873 0.77 CYP2C9 (0.53) HTTCPB2CPB1CYP2C9TSHR
SCHEMBL10108842 0.74 CYP1A2 (0.41) CPB2CPB1
SCHEMBL4392997 0.74 LMNA (0.41) ALDH1A1LMNACPB2CPB1CYP2C9
SCHEMBL13850517 0.73 LMNA (0.43) ALDH1A1LMNATSHR
SCHEMBL3009277 0.72 CPB2 (0.40) HTTCPB2
SCHEMBL3012492 0.71 CPB2 (0.52) CPB2CPB1
SCHEMBL13204160 0.70 CPB2 (0.33) CPB2CPB1
SCHEMBL13221561 0.70 CPB2 (0.38) CPB2CPB1

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-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
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 — — CN 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 ALDH1A1 2060/4885LMNA 4155/4885HTT 1175/4885

“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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