SCHEMBL5356282

SCHEMBL5356282

COc1cc(OC)cc(C(=O)N2CCC(CN3CCC(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.64
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPK14 Q16539 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
SIGMAR1 Q99720 2/20 0.54
HTR1A P08908 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL7239766 0.93 CYP2C9 (0.65) KDM4EALDH1A1CYP2C9CYP2C19MAPK14
SCHEMBL5353463 0.85 MEN1 (0.63) CCR3KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL5366293 0.85 HTT (0.67) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL7239929 0.84 MGLL (0.66) CCR3KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL5352790 0.83 CYP2C9 (0.58) CCR3CYP2C9CYP2C19MAPK14MEN1
SCHEMBL5359292 0.83 SPR (0.60) CCR3CYP2C9CYP2C19MAPK14MEN1
SCHEMBL7244230 0.83 MEN1 (0.69) ALDH1A1CYP2C9CYP2C19MAPK14MEN1
SCHEMBL5358802 0.81 CCR3 (0.71) CCR3MEN1KMT2ASIGMAR1HTR1A
SCHEMBL5359069 0.80 CCR3 (0.62) CCR3ALDH1A1MEN1KMT2AGRIN1
SCHEMBL7231606 0.80 CYP2C9 (0.69) KDM4EALDH1A1CYP2C9CYP2C19MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US claimed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US claimed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US claimed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US claimed
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US disclosed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US disclosed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US disclosed
US-6759411-B2 ANTIHISTAMINES, ANTIALLERGENS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US disclosed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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 (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-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CCR3 1/4885KDM4E 4505/4885ALDH1A1 675/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CCR3 1/4885KDM4E 4505/4885ALDH1A1 675/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 CCR3 1/4885KDM4E 4544/4885ALDH1A1 931/4885

“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.