SCHEMBL10287672

SCHEMBL10287672

COC1(c2ccc(Cl)cc2)CCN(CC/C=C2/c3cc(C(C)(C)N=O)ccc3OCc3ncccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.63
▸ CHRM2 P08172 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ DRD2 P14416 2/20 0.34
▸ HRH1 P35367 5/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ MDM2 Q00987 3/20 0.31
▸ HTR2A P28223 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
SCHEMBL654556 0.91 CCR1 (0.76) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL654557 0.91 CCR1 (0.76) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL12121954 0.84 CCR1 (0.55) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL14420193 0.81 CCR1 (0.72) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL656288 0.81 CCR1 (0.72) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL656289 0.81 CCR1 (0.72) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL10288240 0.81 CCR1 (0.81) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL10288262 0.81 CCR1 (0.81) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL10288260 0.81 CCR1 (0.66) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL10288241 0.81 CCR1 (0.69) CCR1CHRM2CCR5DRD2HRH1

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-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 — — US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 — — US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 — — US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 — — 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 (3 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885

“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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