SCHEMBL5654441

SCHEMBL5654441

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3S(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.45
CCR2 P41597 2/20 0.45
CCR3 P51677 1/20 0.45
CCR4 P51679 1/20 0.45
RARB P10826 2/20 0.43
RARA P10276 1/20 0.43
CCR7 P32248 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
ALPL P05186 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6342677 0.93 MEN1 (0.43) CCR5CCR2CCR3CCR4CCR7
SCHEMBL6340409 0.92 MEN1 (0.42) CCR5CCR2CCR3CCR4CCR7
SCHEMBL6341045 0.92 MEN1 (0.43) CCR5CCR2CCR3CCR4MAPT
SCHEMBL5655925 0.91 RARB (0.49) CCR5CCR2CCR3CCR4RARB
SCHEMBL6339035 0.88 MEN1 (0.51) MAPTMEN1KMT2APOLBHTT
SCHEMBL6343228 0.87 MEN1 (0.41) CCR5CCR2CCR3CCR4CCR7
SCHEMBL6342839 0.86 MEN1 (0.39) CCR5CCR2CCR3CCR4MAPT
SCHEMBL6350067 0.85 CCR5 (0.45) CCR5CCR2CCR3CCR4RARB
SCHEMBL6341921 0.85 CCR5 (0.48) CCR5CCR2CCR3CCR4RARB
SCHEMBL6349959 0.84 CCR5 (0.45) CCR5CCR2CCR3CCR4RARB

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CCR5 2363/4885CCR2 1368/4885CCR3 4229/4885

“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.