SCHEMBL3010858

SCHEMBL3010858

CCC(C)C(C)CNC(=O)c1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
AKR1B1 P15121 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
SCHEMBL3010041 0.89 HPGD (0.37) HPGDRAB9ANPSR1HRH4HRH3
SCHEMBL6673524 0.83 ACR (0.42) HPGDRAB9A
SCHEMBL1437259 0.79 CNR1 (0.41) HTT
SCHEMBL2999028 0.77 HPGD (0.33) HPGDHRH4HRH3GAA
SCHEMBL3005067 0.77 KMT2A (0.44) RAB9AHRH4HRH3SMN1; SMN2NPC1
SCHEMBL2995161 0.76 POLB (0.41) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10245943 0.74 KDM4E (0.49) HPGDRAB9ASMN1; SMN2NPC1HTT
SCHEMBL3014408 0.73 CNR2 (0.32) CNR2ALDH1A1
SCHEMBL3010680 0.73 MAPT (0.34) SMN1; SMN2ALDH1A1
SCHEMBL1437208 0.73 EGLN1 (0.35) HPGDALDH1A1GAAAKR1B1

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 HPGD 685/4885RAB9A 3134/4885NPSR1 187/4885

“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.