SCHEMBL13616998

SCHEMBL13616998

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(N=O)(c3ccc(Cl)cc3)C(C)(CO)C1)C1C=CC=NC1CO2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.45
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL10288016 0.90 CCR1 (0.53) CCR1
SCHEMBL13824493 0.86 CCR1 (0.47) CCR1TP53MDM2
SCHEMBL10287984 0.84 CCR1 (0.51) CCR1
SCHEMBL13617523 0.84 CCR1 (0.45) CCR1TP53MDM2
SCHEMBL12121901 0.83 CCR1 (0.44) CCR1TP53MDM2
SCHEMBL12121896 0.83 CCR1 (0.44) CCR1
SCHEMBL13824497 0.83 CCR1 (0.48) CCR1TP53MDM2
SCHEMBL12121889 0.83 CCR1 (0.44) CCR1TP53MDM2
SCHEMBL12121888 0.82 CCR1 (0.45) CCR1TP53MDM2
SCHEMBL12121894 0.82 CCR1 (0.45) CCR1TP53MDM2

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 10/4885TP53 4386/4885MDM2 4623/4885

“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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