SCHEMBL13617502

SCHEMBL13617502

CC(C)(O)c1ccc2c(c1)C(=CCCN1CCC(O)(c3ccc(Cl)cc3)CC1)C1C=CC=CC1CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 6/20 0.47
▸ DRD2 P14416 9/20 0.39
▸ OPRL1 P41146 2/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ CCR3 P51677 1/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ HRH2 P25021 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35

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
SCHEMBL13617508 0.87 DRD2 (0.41) CCR1DRD2OPRL1OPRM1CCR3
SCHEMBL10287662 0.87 DRD2 (0.41) CCR1DRD2OPRL1OPRM1CCR3
SCHEMBL12121933 0.85 DRD2 (0.40) CCR1DRD2CCR3DRD3SLC6A4
SCHEMBL13617503 0.85 DRD2 (0.40) CCR1DRD2CCR3DRD3SLC6A4
SCHEMBL13824493 0.80 CCR1 (0.47) CCR1TP53
SCHEMBL10287605 0.79 DRD2 (0.41) CCR1DRD2OPRL1OPRM1CCR3
SCHEMBL12121888 0.79 CCR1 (0.45) CCR1TP53
SCHEMBL12121894 0.79 CCR1 (0.45) CCR1DRD2OPRM1DRD4DRD3
SCHEMBL13617523 0.79 CCR1 (0.45) CCR1DRD2OPRM1DRD4DRD3
SCHEMBL13617525 0.79 CCR1 (0.44) CCR1DRD2OPRL1OPRM1DRD4

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 1 patent. 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

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 3566/4885OPRL1 151/4885

“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.

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