SCHEMBL13617501

SCHEMBL13617501

O=CCN1C(=O)c2ccccc2C(=CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.46
DRD2 P14416 7/20 0.44
OPRM1 P35372 2/20 0.44
OPRL1 P41146 1/20 0.44
CCR3 P51677 2/20 0.43
ADRA1A P35348 1/20 0.41

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
SCHEMBL12121682 0.95 CCR1 (0.48) CCR1DRD2CCR3ADRA1A
SCHEMBL654890 0.90 CCR1 (0.48) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL654891 0.90 CCR1 (0.48) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL16312640 0.90 CCR1 (0.48) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL655738 0.89 CCR3 (0.53) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL655737 0.89 CCR3 (0.53) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL654198 0.88 DRD2 (0.48) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL654197 0.88 DRD2 (0.48) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL655897 0.88 DRD2 (0.47) CCR1DRD2OPRM1OPRL1CCR3
SCHEMBL655896 0.88 DRD2 (0.47) CCR1DRD2OPRM1OPRL1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CCR1 10/4885DRD2 3566/4885OPRM1 1015/4885

“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.