SCHEMBL5655428

SCHEMBL5655428

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3CC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.59
CCR2 P41597 2/20 0.54
CCR7 P32248 1/20 0.54
CCR3 P51677 1/20 0.52
CCR4 P51679 1/20 0.52
RARB P10826 7/20 0.49
RARA P10276 1/20 0.49
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
NR4A2 P43354 1/20 0.35
DHODH Q02127 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
SCHEMBL5655515 0.95 CCR5 (0.55) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3163964 0.95 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3163971 0.95 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3459367 0.94 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3459366 0.94 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3459362 0.94 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6343081 0.91 CCR5 (0.60) CCR5CCR2CCR7CCR3CCR4
SCHEMBL5654599 0.91 CCR5 (0.55) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3459703 0.90 CCR5 (0.56) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3459699 0.90 CCR5 (0.56) 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 7 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-20050107606-A1 Process for producing optically active sulfoxide derivative TATKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
EP-1484322-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2004-12-08 EP 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 (2 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-20050107606-A1 Process for producing optically active sulfoxide derivative CCR5, OPRM1, CXCR4 CCR5 1/4885CCR2 5/4885CCR7 114/4885
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CCR5 2363/4885CCR2 1368/4885CCR7 3305/4885

“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.