SCHEMBL6774779

SCHEMBL6774779

CC(=O)c1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3F)CC2)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 19/20 0.79
HTR2A P28223 5/20 0.79
CYP2D6 P10635 1/20 0.64
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
SLC6A3 Q01959 1/20 0.60
RAB9A P51151 1/20 0.58

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
SCHEMBL6330741 0.89 CCR3 (0.79) CCR3HTR2ARAB9A
SCHEMBL6332770 0.88 CCR3 (1.00) CCR3HTR2ACYP2D6SLC6A2SLC6A4
SCHEMBL6337021 0.87 CCR3 (0.68) CCR3HTR2ARAB9A
SCHEMBL6331289 0.86 CCR3 (0.84) CCR3HTR2A
SCHEMBL6329686 0.86 CCR3 (0.95) CCR3HTR2ACYP2D6SLC6A2SLC6A4
SCHEMBL6338591 0.81 CCR3 (0.86) CCR3HTR2ACYP2D6SLC6A2SLC6A4
SCHEMBL6337467 0.81 CCR3 (0.83) CCR3HTR2A
SCHEMBL6331979 0.78 CCR3 (1.00) CCR3HTR2ACYP2D6SLC6A2SLC6A4
SCHEMBL18840697 0.78 CCR3 (1.00) CCR3HTR2ACYP2D6SLC6A2SLC6A4
SCHEMBL6340295 0.78 CCR3 (0.81) CCR3HTR2ACYP2D6SLC6A2SLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144273-A1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity WATSON PAUL S (US) 2003-07-31 US claimed
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 US claimed
US-6706735-B2 NITROGEN COMPOUNDS SUCH AS N-(3-(4-BENZYL-2-PIPERIDINYL)PROPYL )-N'-(3-CYANOPHENYL)UREA, USED AS CHEMOTACTIC CYTOKINE CONTROLLERS ADMINISTERED FOR PROPHYLAXIS OF ASTHMA, ALLERGIES AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
US-20030144273-A1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity WATSON PAUL S (US) 2003-07-31 US disclosed
US-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 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 (1 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-20030144273-A1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CCR3 1/4885HTR2A 2253/4885CYP2D6 1825/4885

“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.