SCHEMBL3039360

SCHEMBL3039360

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCCOC4)cc2)CCN3CC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.58
CCR2 P41597 5/20 0.55
CCR7 P32248 1/20 0.55
CCR3 P51677 1/20 0.53
CCR4 P51679 1/20 0.53

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
SCHEMBL3040670 0.98 CCR5 (0.55) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3031895 0.94 CCR5 (0.56) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6349226 0.93 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458902 0.91 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3038089 0.91 CCR5 (0.53) CCR5CCR2CCR7CCR3CCR4
SCHEMBL3458906 0.91 CCR5 (0.61) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6341948 0.91 CCR2 (0.51) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6344586 0.91 CCR2 (0.59) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6342647 0.89 CCR2 (0.51) CCR5CCR2CCR7CCR3CCR4
SCHEMBL6350464 0.89 CCR5 (0.48) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245537-A1 Use of compounds having ccr antagonism TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-03 US 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 claimed
US-20050154016-A1 Preventives for hiv infection TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-14 US claimed
EP-1498138-A1 PREVENTIVES FOR HIV INFECTION Takeda Pharmaceutical Company Limited (JP) 2005-01-19 EP claimed
EP-1498125-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM Takeda Pharmaceutical Company Limited (JP) 2005-01-19 EP 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-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM TSUCHIMORI NOBORU 2010-08-26 US disclosed
US-20050245537-A1 Use of compounds having ccr antagonism TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-03 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-20050154016-A1 Preventives for hiv infection TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-14 US disclosed
EP-1498138-A1 PREVENTIVES FOR HIV INFECTION Takeda Pharmaceutical Company Limited (JP) 2005-01-19 EP disclosed
EP-1498125-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM Takeda Pharmaceutical Company Limited (JP) 2005-01-19 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 (3 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-20050154016-A1 Preventives for hiv infection CCR5, CCR2, CCR1 CCR5 1/4885CCR2 2/4885CCR7 17/4885
US-20050245537-A1 Use of compounds having ccr antagonism CCR1, CCR3, CCR2 CCR5 9/4885CCR2 3/4885CCR7 13/4885
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM CCR1, CCR3, CCR2 CCR5 9/4885CCR2 3/4885CCR7 13/4885

“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.