SCHEMBL14579804

SCHEMBL14579804

CC/C=C\C1=C(N)COc2ccc(C(C)(C)O)cc2/C1=C/CCN1CCC(N)(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.48
▸ CHRM2 P08172 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ MDM2 Q00987 2/20 0.30
▸ TP53 P04637 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
SCHEMBL14420191 0.80 CCR1 (0.72) CCR1CHRM2CCR5TP53
SCHEMBL10287996 0.79 CCR1 (0.49) CCR1CHRM2CCR5
SCHEMBL13824512 0.78 CCR1 (0.40) CCR1MDM2TP53
SCHEMBL18633833 0.77 CCR1 (0.42) CCR1TP53
SCHEMBL14579806 0.74 CCR1 (0.74) CCR1CHRM2CCR5TP53
SCHEMBL652668 0.73 CCR1 (0.67) CCR1CHRM2CCR5
SCHEMBL652669 0.73 CCR1 (0.67) CCR1CHRM2CCR5
SCHEMBL654595 0.72 CCR1 (0.68) CCR1CHRM2CCR5
SCHEMBL654596 0.72 CCR1 (0.68) CCR1CHRM2CCR5
SCHEMBL652678 0.71 CCR1 (0.64) CCR1CHRM2TP53

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-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 19/4885CHRM2 615/4885CCR5 55/4885

“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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