SCHEMBL5485987

SCHEMBL5485987

CC(=O)C1(c2ccc(Cl)cc2)CCN(CCC=C2C3=CC=CNC3=COc3ccc(C(C)(C)O)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.44
▸ DRD3 P35462 1/20 0.32
▸ MDM2 Q00987 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ TACR2 P21452 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ TACR3 P29371 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CCR5 P51681 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
SCHEMBL441836 0.86 CCR1 (0.60) CCR1MDM2CHRM2CCR5
SCHEMBL441837 0.86 CCR1 (0.60) CCR1MDM2CHRM2CCR5
SCHEMBL6363059 0.85 CCR1 (0.39) CCR1
SCHEMBL6362657 0.85 CCR1 (0.38) CCR1TP53CHRM2CCR5
SCHEMBL7733512 0.83 CCR1 (0.42) CCR1MDM2TP53CHRM2CCR5
SCHEMBL7733509 0.83 CCR1 (0.42) CCR1MDM2TP53CHRM2CCR5
SCHEMBL6363775 0.80 CCR1 (0.35) CCR1CHRM2CCR5
SCHEMBL6363771 0.80 CCR1 (0.35) CCR1CHRM2CCR5
SCHEMBL6360664 0.79 CCR1 (0.36) CCR1DRD3
SCHEMBL1323821 0.76 CCR1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 — — US disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 — — 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-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 CCR1 4/4885DRD3 3541/4885MDM2 4650/4885

“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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