SCHEMBL3026537

SCHEMBL3026537

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCO3)cc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.77
CCR5 P51681 17/20 0.71

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
SCHEMBL5209992 0.94 CCR2 (0.70) CCR2CCR5
SCHEMBL5208241 0.93 CCR2 (0.67) CCR2CCR5
SCHEMBL5211261 0.93 CCR2 (0.69) CCR2CCR5
SCHEMBL5241768 0.93 CCR2 (0.67) CCR2CCR5
SCHEMBL5208849 0.93 CCR2 (0.69) CCR2CCR5
SCHEMBL7684955 0.93 CCR2 (0.66) CCR2CCR5
SCHEMBL5238081 0.93 CCR5 (0.72) CCR2CCR5
SCHEMBL7682451 0.93 CCR2 (0.66) CCR2CCR5
SCHEMBL5209195 0.93 CCR2 (0.66) CCR2CCR5
SCHEMBL5205096 0.92 CCR2 (0.72) 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 29 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
JP-11263764-A None JP disclosed
US-12016935-B2 Methods for detecting CCR2 receptors WASHINGTON UNIVERSITY (US) 2024-06-25 US disclosed
US-12016935-B2 Methods for detecting CCR2 receptors WASHINGTON UNIVERSITY (US) 2024-06-25 US disclosed
US-20200405889-A1 METHODS FOR DETECTING CCR2 RECEPTORS WASHINGTON UNIVERSITY (US) 2020-12-31 US disclosed
US-20170348442-A1 COMPOSITIONS AND METHODS FOR DETECTING CCR2 RECEPTORS WASHINGTON UNIVERSITY (US) 2017-12-07 US disclosed
US-20170348442-A1 COMPOSITIONS AND METHODS FOR DETECTING CCR2 RECEPTORS WASHINGTON UNIVERSITY (US) 2017-12-07 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
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
JP-2000128782-A ANILIDE DERIVATIVE-CONTAINING CCR5 ANTAGONIST TAKEDA CHEM IND LTD 2000-05-09 JP disclosed
JP-H11263764-A ANILIDE DERIVATIVE AND ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1999-09-28 JP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO 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 (5 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-20170348442-A1 COMPOSITIONS AND METHODS FOR DETECTING CCR2 RECEPTORS CCR2, CCR1, CCR3 CCR2 1/4885CCR5 4/4885
US-20200405889-A1 METHODS FOR DETECTING CCR2 RECEPTORS CCR2, CCR1, CCR5 CCR2 1/4885CCR5 3/4885
US-12016935-B2 Methods for detecting CCR2 receptors CCR2, CCR1, CCR5 CCR2 1/4885CCR5 3/4885
US-20050245537-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.