SCHEMBL3040104

SCHEMBL3040104

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCN3C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.54
CCR5 P51681 16/20 0.49
CCR7 P32248 1/20 0.45
CCR3 P51677 1/20 0.43
CCR4 P51679 1/20 0.43

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
SCHEMBL3026555 0.97 CCR2 (0.54) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6340878 0.96 CCR2 (0.54) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3026515 0.95 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL6342614 0.95 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL6353159 0.94 CCR2 (0.56) CCR2CCR5CCR7
SCHEMBL6342915 0.92 CCR2 (0.58) CCR2CCR5CCR7
SCHEMBL6351792 0.92 CCR2 (0.55) CCR2CCR5CCR7
SCHEMBL6343762 0.91 CCR2 (0.56) CCR2CCR5CCR7CCR3CCR4
SCHEMBL3029085 0.91 CCR2 (0.56) CCR2CCR5CCR7CCR3CCR4
SCHEMBL6340941 0.91 CCR5 (0.58) CCR2CCR5CCR7CCR3CCR4

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 15 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
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 (4 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 CCR2 2/4885CCR5 1/4885CCR7 17/4885
US-20030078189-A1 Medicinal compositions for oral use CCR5, CXCR3, CCL5 CCR2 23/4885CCR5 1/4885CCR7 6/4885
US-20050245537-A1 Use of compounds having ccr antagonism CCR1, CCR3, CCR2 CCR2 3/4885CCR5 9/4885CCR7 13/4885
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM CCR1, CCR3, CCR2 CCR2 3/4885CCR5 9/4885CCR7 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.