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Sugi Predict / Compounds / SCHEMBL10288231

SCHEMBL10288231

SCHEMBL10288231

OCCOc1ccc2c(c1)C(=CCCN1CCC(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CCR5 P51681 1/20 0.52
▸ DRD2 P14416 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ ADRA2A P08913 2/20 0.36
▸ HRH1 P35367 4/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADRA2B P18089 1/20 0.36

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
SCHEMBL13620900 1.00 CCR1 (0.52) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL13620892 0.92 CCR1 (0.52) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL14703463 0.91 CCR1 (0.55) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL10288233 0.91 CCR1 (0.53) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL10288234 0.91 CCR1 (0.54) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL14419992 0.91 CCR1 (0.54) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL7212910 0.90 CCR1 (0.54) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL7212913 0.90 CCR1 (0.54) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL13620879 0.90 CCR1 (0.56) CCR1CHRM2CCR5DRD2HTR1A
SCHEMBL12121935 0.89 CCR1 (0.52) CCR1CHRM2CCR5DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
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.