SCHEMBL13617523

SCHEMBL13617523

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(C(=O)O)(c3ccc(Cl)cc3)CC1)C1C=CC=NC1CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.45
▸ MDM2 Q00987 8/20 0.33
▸ TP53 P04637 7/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ TET3 O43151 1/20 0.32
▸ FBXL19 Q6PCT2 1/20 0.32
▸ CXXC5 Q7LFL8 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ CXXC4 Q9H2H0 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ADRB2 P07550 2/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ OPRM1 P35372 2/20 0.31

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
SCHEMBL12121901 0.95 CCR1 (0.44) CCR1MDM2TP53
SCHEMBL12121889 0.94 CCR1 (0.44) CCR1MDM2TP53
SCHEMBL12121895 0.93 CCR1 (0.43) CCR1MDM2TP53DRD4OPRM1
SCHEMBL13824493 0.90 CCR1 (0.47) CCR1MDM2TP53
SCHEMBL12121894 0.89 CCR1 (0.45) CCR1MDM2TP53DRD4OPRM1
SCHEMBL12121888 0.89 CCR1 (0.45) CCR1MDM2TP53
SCHEMBL13617519 0.88 CCR1 (0.44) CCR1MDM2TP53
SCHEMBL10287611 0.88 TET3 (0.35) CCR1KMT2ATET3FBXL19CXXC5
SCHEMBL13617524 0.88 CCR1 (0.46) CCR1MDM2TP53
SCHEMBL12121906 0.86 CCR1 (0.44) CCR1

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 10/4885MDM2 4623/4885TP53 4386/4885

“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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