SCHEMBL6344939

SCHEMBL6344939

CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.52
CCR5 P51681 17/20 0.43
CCR7 P32248 2/20 0.38
CXCR3 P49682 1/20 0.37

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
SCHEMBL6351143 0.97 CCR2 (0.53) CCR2CCR5CCR7CXCR3
SCHEMBL6338977 0.94 CCR2 (0.54) CCR2CCR5CCR7CXCR3
SCHEMBL6350218 0.92 CCR2 (0.54) CCR2CCR5CCR7
SCHEMBL6344189 0.90 CCR2 (0.51) CCR2CCR5CCR7CXCR3
SCHEMBL6345294 0.90 CCR2 (0.52) CCR2CCR5CCR7
SCHEMBL3040104 0.89 CCR2 (0.54) CCR2CCR5CCR7
SCHEMBL6342614 0.89 CCR2 (0.56) CCR2CCR5CCR7CXCR3
SCHEMBL6341368 0.89 CCR2 (0.51) CCR2CCR5CCR7CXCR3
SCHEMBL6341920 0.89 CCR2 (0.51) CCR2CCR5CCR7CXCR3
SCHEMBL6342709 0.89 CCR2 (0.51) CCR2CCR5CCR7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US claimed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP claimed
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
US-20030078189-A1 Medicinal compositions for oral use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-04-24 US disclosed
EP-1236476-A1 MEDICINAL COMPOSITIONS FOR ORAL USE Takeda Chemical Industries, Ltd. (JP) 2002-09-04 EP disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 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-20030078189-A1 Medicinal compositions for oral use CCR5, CXCR3, CCL5 CCR2 23/4885CCR5 1/4885CCR7 6/4885

“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.