SCHEMBL4437613

SCHEMBL4437613

Cn1nnnc1-c1cccc(NC(=O)Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CCR3 P51677 6/20 0.49
ALDH1A1 P00352 4/20 0.49
FAAH O00519 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CASR P41180 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PORCN Q9H237 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6274455 0.94 CCR3 (0.47) CYP1A2CCR3ALDH1A1FAAHCYP3A4
SCHEMBL5383938 0.93 KMT2A (0.51) CYP1A2CCR3ALDH1A1FAAHCYP3A4
SCHEMBL4604415 0.90 PORCN (0.47) CYP1A2CCR3ALDH1A1GAAHTT
SCHEMBL5908177 0.87 ALDH1A1 (0.44) CYP1A2CCR3ALDH1A1FAAHCYP3A4
SCHEMBL4606931 0.87 ALDH1A1 (0.44) CYP1A2ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL6083827 0.87 ABCC9 (0.55) ALDH1A1FAAHMAPK1GAAHTT
SCHEMBL27589483 0.85 CCR3 (0.53) CCR3CASR
SCHEMBL4768262 0.84 CYP1A2 (0.55) CYP1A2CCR3ALDH1A1GAAHTT
SCHEMBL4606028 0.84 CCR3 (0.53) CCR3
SCHEMBL4605681 0.84 CCR3 (0.47) CYP1A2CCR3ALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479496-B2 Substituted spiro azabicyclics as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-20 US disclosed
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-03-30 US disclosed
EP-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP disclosed
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
EP-1294690-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-03-26 EP disclosed
US-6525069-B1 Such as N-(t-butyl)-N'-(2-((3-(4-fluorophenyl)methyl)piperi -dinyl)methyl)cyclohexyl)urea; prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-02-25 US disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US disclosed
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-24 US disclosed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO disclosed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
WO-2001098270-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
WO-2001098269-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 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 (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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 CYP1A2 1758/4885CCR3 1/4885ALDH1A1 906/4885
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity CCR3, CCR1, ACKR3 CYP1A2 4104/4885CCR3 1/4885ALDH1A1 1698/4885
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 CYP1A2 4168/4885CCR3 13/4885ALDH1A1 1335/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CYP1A2 2671/4885CCR3 1/4885ALDH1A1 1357/4885

“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.