SCHEMBL6340941

SCHEMBL6340941

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3CCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.58
CCR2 P41597 5/20 0.55
CCR7 P32248 1/20 0.51
CCR3 P51677 1/20 0.49
CCR4 P51679 1/20 0.49
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
Hydrochloric Acid SCHEMBL6350443 0.99 CCR5 (0.57) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6350296 0.97 CCR2 (0.55) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458953 0.97 CCR5 (0.62) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458957 0.97 CCR5 (0.62) CCR5CCR2CCR7CCR3CCR4
Fumaric Acid SCHEMBL6408620 0.96 CCR5 (0.54) CCR5CCR2CCR7CCR3CCR4
Fumaric Acid SCHEMBL6407692 0.96 CCR5 (0.54) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6341653 0.96 CCR2 (0.54) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6344086 0.96 CCR2 (0.57) CCR5CCR2CCR7CCR3CCR4
Hydrochloric Acid SCHEMBL6339046 0.95 CCR2 (0.53) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6410567 0.95 CCR2 (0.55) CCR5CCR2CCR7CCR3CCR4

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 4 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 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 CCR5 1/4885CCR2 23/4885CCR7 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.