SCHEMBL6406441

SCHEMBL6406441

CC(=O)N1CCC(=O)C(C(c2ccc(C)cc2)c2ccc(C)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.41
BAZ2B Q9UIF8 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL6413749 0.87 TACR1 (0.53) TACR1
SCHEMBL6414888 0.87 TACR1 (0.54) TACR1BAZ2B
SCHEMBL4487177 0.87 TACR1 (0.55) TACR1
SCHEMBL6407581 0.74 TACR1 (0.52) TACR1
SCHEMBL6410854 0.72 TACR1 (0.55) TACR1
SCHEMBL6405646 0.71 TACR1 (0.63) TACR1
SCHEMBL4481859 0.69 TACR1 (0.48) TACR1
SCHEMBL6410627 0.69 TACR1 (0.53) TACR1
SCHEMBL22542160 0.68 KMT2A (0.53)
SCHEMBL12801362 0.68 NOTUM (0.38)

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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 TACR1 3/4885BAZ2B 2810/4885EP300 4138/4885

“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.