SCHEMBL10288256

SCHEMBL10288256

CN(C)C(=O)COc1ccc2c(c1)C(=CCCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.57
CHRM2 P08172 2/20 0.50
CCR5 P51681 1/20 0.50
DRD2 P14416 5/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2B P41595 3/20 0.38
DRD4 P21917 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
LMNA P02545 3/20 0.38
OPRM1 P35372 3/20 0.38
DRD3 P35462 3/20 0.38
MEN1 O00255 2/20 0.38
ADRB2 P07550 2/20 0.38
ADRA2A P08913 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR1A P08908 2/20 0.38

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
SCHEMBL13620909 0.92 CCR1 (0.58) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL10288255 0.92 CCR1 (0.58) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL18895993 0.91 CCR1 (0.54) CCR1CHRM2CCR5HTR2BLMNA
SCHEMBL7208051 0.91 CCR1 (0.56) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL7208049 0.91 CCR1 (0.56) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL10287589 0.91 CCR1 (0.57) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL7212465 0.91 CCR1 (0.62) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL7212461 0.91 CCR1 (0.62) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL14579625 0.90 CCR1 (0.57) CCR1CHRM2CCR5DRD2SLC6A4
SCHEMBL15478350 0.89 CCR1 (0.56) CCR1CHRM2CCR5DRD2SLC6A4

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-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-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.