SCHEMBL5657701

SCHEMBL5657701

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
RARA P10276 1/20 0.50
CCR5 P51681 11/20 0.45
CCR2 P41597 2/20 0.42
CCR7 P32248 1/20 0.42
CCR3 P51677 1/20 0.41
CCR4 P51679 1/20 0.41
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
MPL P40238 1/20 0.35

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
SCHEMBL3459334 0.95 RARB (0.51) RARBRARACCR5CCR2CCR7
SCHEMBL3459331 0.95 RARB (0.51) RARBRARACCR5CCR2CCR7
SCHEMBL6341107 0.93 RARB (0.40) RARBRARACCR5CCR2CCR7
SCHEMBL6343536 0.92 RARB (0.39) RARBRARACCR5CCR2CCR7
SCHEMBL6349978 0.91 MPL (0.39) RARBRARACCR5MPL
SCHEMBL6350067 0.91 CCR5 (0.45) RARBRARACCR5CCR2CCR7
SCHEMBL6342363 0.87 RXRA (0.39) CCR5
SCHEMBL6342375 0.86 CCR5 (0.38) RARBRARACCR5CCR2CCR7
SCHEMBL5654599 0.86 CCR5 (0.55) RARBRARACCR5CCR2CCR7
SCHEMBL3458669 0.86 CCR5 (0.49) RARBRARACCR5CCR2CCR7

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 5 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-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-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
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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 RARB 2991/4885RARA 3618/4885CCR5 2363/4885

“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.