SCHEMBL3005145

SCHEMBL3005145

CCCN(CCC)C(=O)Cc1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSPO P30536 1/20 0.36

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
SCHEMBL3008630 0.88 KDM4E (0.40) ALDH1A1HPGDTSPO
SCHEMBL3005861 0.88 KDM4E (0.40) ALDH1A1HPGDTSPO
SCHEMBL13434165 0.80 CCR5 (0.36)
SCHEMBL3004130 0.80 NR4A2 (0.32)
SCHEMBL3011562 0.78 FNTA (0.31)
SCHEMBL3007154 0.75 PKM (0.38) POLBALDH1A1HPGD
SCHEMBL3004699 0.75
SCHEMBL16363210 0.75 OPRM1 (0.38)
SCHEMBL2998942 0.75
SCHEMBL13437552 0.74 TDP1 (0.33) TDP1

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 POLB 4342/4885APEX1 1692/4885TDP1 2961/4885

“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.