SCHEMBL16312671

SCHEMBL16312671

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(C)(CO)C(O)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.83
▸ CHRM2 P08172 1/20 0.48
▸ CCR5 P51681 1/20 0.48
▸ HRH1 P35367 5/20 0.32
▸ MDM2 Q00987 7/20 0.32
▸ TP53 P04637 5/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32

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
SCHEMBL10288018 0.95 CCR1 (0.87) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL1276527 0.95 CCR1 (0.87) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL651958 0.95 CCR1 (0.87) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL438488 0.91 CCR1 (1.00) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL438265 0.91 CCR1 (1.00) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL653493 0.91 CCR1 (1.00) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL438487 0.91 CCR1 (1.00) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL653494 0.91 CCR1 (1.00) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL403450 0.91 CCR1 (1.00) CCR1CHRM2CCR5HRH1MDM2
SCHEMBL13620905 0.91 CCR1 (1.00) CCR1CHRM2CCR5HRH1MDM2

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 2 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

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-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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