SCHEMBL13617096

SCHEMBL13617096

COc1ccc2c(c1)OCc1ncccc1C2=CCCN1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.57
CHRM2 P08172 1/20 0.48
CCR5 P51681 1/20 0.48
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 4/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14419964 1.00 CCR1 (0.57) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL7210849 0.94 CCR1 (0.63) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL7210846 0.94 CCR1 (0.63) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL12121524 0.91 CCR1 (0.60) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL10287609 0.90 CCR1 (0.53) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL7205463 0.89 CCR1 (0.57) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL14419988 0.89 CCR1 (0.65) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL7205458 0.89 CCR1 (0.57) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL10287661 0.89 CCR1 (0.57) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL13824279 0.89 CCR1 (0.45) CCR1ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 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 (1 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CCR1 10/4885CHRM2 1772/4885CCR5 6/4885

“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.