SCHEMBL13824459

SCHEMBL13824459

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CC[C@@H](NCc3ccc(Cl)cc3)C1)C1=CC=CNC1CO2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.40
▸ BCHE P06276 8/20 0.37
▸ ACHE P22303 8/20 0.37
▸ BACE1 P56817 8/20 0.37
▸ CCR2 P41597 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MDM2 Q00987 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ LTA4H P09960 2/20 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
SCHEMBL18896010 0.87 CCR1 (0.39) CCR1BCHEMDM2TP53CHRM2
SCHEMBL13824447 0.87 CCR1 (0.39) CCR1BCHEMDM2TP53CHRM2
SCHEMBL18633820 0.84 CCR1 (0.37) CCR1
SCHEMBL14420045 0.84 CCR1 (0.40) CCR1CHRM2CCR5
SCHEMBL18896011 0.83 CCR1 (0.37) CCR1
SCHEMBL18633827 0.82 CCR1 (0.39) CCR1MEN1KMT2ATP53
SCHEMBL18895955 0.82 CCR1 (0.38) CCR1MDM2TP53
SCHEMBL15478375 0.82 CCR1 (0.50) CCR1MEN1KMT2ATP53CHRM2
SCHEMBL18895962 0.82 CCR1 (0.39) CCR1CHRM2CCR5
SCHEMBL18895954 0.81 CCR1 (0.37) CCR1CHRM2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
EP-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 — — EP disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 — — US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 — — 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-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS CCR1 19/4885BCHE 2217/4885ACHE 941/4885

“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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