SCHEMBL5358802

SCHEMBL5358802

COc1cccc(CC(=O)N2CCC(CN3CCC(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.71
SIGMAR1 Q99720 5/20 0.59
HTR1A P08908 2/20 0.58
SLC6A4 P31645 1/20 0.58
OPRK1 P41145 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 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
SCHEMBL5359069 0.89 CCR3 (0.62) CCR3SIGMAR1HTR1AMEN1KMT2A
SCHEMBL5366470 0.85 TACR3 (0.71) CCR3SIGMAR1MEN1KMT2A
SCHEMBL5359294 0.83 CCR3 (1.00) CCR3MEN1KMT2A
SCHEMBL5356282 0.81 CCR3 (0.64) CCR3SIGMAR1HTR1AMEN1KMT2A
SCHEMBL13182998 0.80 ALDH1A1 (0.66) SIGMAR1MEN1KMT2APOLB
SCHEMBL8296093 0.79 TACR2 (0.57) CCR3SIGMAR1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL8742539 0.78 TACR2 (0.56) CCR3SIGMAR1HTR1ASLC6A4
SCHEMBL8636890 0.78 HTR1A (0.56) CCR3SIGMAR1HTR1ASLC6A4MEN1
SCHEMBL7239929 0.78 MGLL (0.66) CCR3MEN1KMT2A
SCHEMBL23682656 0.78 TACR3 (0.83) MEN1KMT2APOLB

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 14 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
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO 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 1/4885SIGMAR1 930/4885HTR1A 1125/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 CCR3 1/4885SIGMAR1 930/4885HTR1A 1125/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 CCR3 1/4885SIGMAR1 1173/4885HTR1A 1582/4885

“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.