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SCHEMBL13620881

SCHEMBL13620881

Cc1cc(Cl)ccc1C1(O)CCN(CC/C=C2/c3cc(C(C)(C)O)ccc3OCc3ncccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.71
▸ CHRM2 P08172 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ HRH1 P35367 8/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL655180 1.00 CCR1 (0.71) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL655181 1.00 CCR1 (0.71) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL10288240 0.90 CCR1 (0.81) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL18896070 0.90 CCR1 (0.56) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL10288262 0.90 CCR1 (0.81) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL13620897 0.89 CCR1 (0.69) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL652537 0.89 CCR1 (0.69) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL10287959 0.88 CCR1 (0.54) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL14703481 0.87 CCR1 (0.71) CCR1CHRM2CCR5HRH1ADRA1A
SCHEMBL656238 0.86 CCR1 (0.65) CCR1CHRM2CCR5HRH1ADRA1A

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-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — US disclosed
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — US disclosed
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 — — US disclosed
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 — — 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 (2 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-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 4457/4885CCR5 12/4885
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS CCR1, CCR3, CCR4 CCR1 1/4885CHRM2 4696/4885CCR5 12/4885

“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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