SCHEMBL3026568

SCHEMBL3026568

CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCOCC5)cc4)ccc3OCC2)cc1)C1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.63
CCR5 P51681 17/20 0.59

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
SCHEMBL5204027 0.96 CCR2 (0.65) CCR2CCR5
SCHEMBL5208303 0.95 CCR2 (0.64) CCR2CCR5
SCHEMBL5209624 0.95 CCR2 (0.63) CCR2CCR5
SCHEMBL5210238 0.94 CCR2 (0.55) CCR2CCR5
SCHEMBL5241768 0.90 CCR2 (0.67) CCR2CCR5
SCHEMBL3026537 0.90 CCR2 (0.77) CCR2CCR5
SCHEMBL5208241 0.90 CCR2 (0.67) CCR2CCR5
SCHEMBL5209195 0.90 CCR2 (0.66) CCR2CCR5
SCHEMBL7682451 0.90 CCR2 (0.66) CCR2CCR5
SCHEMBL7918243 0.89 CCR2 (0.65) CCR2CCR5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP claimed
US-20050245537-A1 Use of compounds having ccr antagonism TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-03 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
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US claimed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US claimed
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM TSUCHIMORI NOBORU 2010-08-26 US disclosed
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-20050245537-A1 Use of compounds having ccr antagonism TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-03 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-1236476-A1 MEDICINAL COMPOSITIONS FOR ORAL USE Takeda Chemical Industries, Ltd. (JP) 2002-09-04 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US 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 CCR2 2/4885CCR5 1/4885
US-20050245537-A1 Use of compounds having ccr antagonism CCR1, CCR3, CCR2 CCR2 3/4885CCR5 9/4885
US-20100216871-A1 USE OF COMPOUNDS HAVING CCR ANTAGONISM CCR1, CCR3, CCR2 CCR2 3/4885CCR5 9/4885

“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.