SCHEMBL995810

SCHEMBL995810

BrCC/C=C1/c2ccccc2OCc2ncccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.46
HRH1 P35367 3/20 0.46
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A1 O15245 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL995811 1.00 HTR2B (0.46) HTR2BHRH1KCNH2ALDH1A1CHRM2
SCHEMBL7206976 1.00 HTR2B (0.46) HTR2BHRH1KCNH2ALDH1A1CHRM2
SCHEMBL7206969 0.87 HTR2B (0.46) HTR2BHRH1KCNH2ALDH1A1CHRM2
SCHEMBL7206966 0.87 HTR2B (0.46) HTR2BHRH1KCNH2ALDH1A1CHRM2
SCHEMBL654984 0.86 CCR1 (0.42) HRH1ALDH1A1CHRM2LMNACCR1
SCHEMBL654983 0.86 CCR1 (0.42) HRH1ALDH1A1CHRM2LMNACCR1
SCHEMBL7210953 0.86 CCR1 (0.42) HRH1ALDH1A1CHRM2LMNACCR1
SCHEMBL14288484 0.85 HTR2B (0.47) HTR2BHRH1KCNH2ALDH1A1CHRM2
SCHEMBL7210855 0.83 ALDH1A1 (0.42) HTR2BHRH1KCNH2ALDH1A1CHRM2
SCHEMBL7210858 0.83 ALDH1A1 (0.42) HTR2BHRH1KCNH2ALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334283-B2 CCR1 antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-05-10 US disclosed
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-01 US disclosed
US-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20110021777-A1 PROCESS IMPROVEMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
US-20110021777-A1 PROCESS IMPROVEMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
US-20110021777-A1 PROCESS IMPROVEMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
WO-2009070556-A1 PROCESS IMPROVEMENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-04 WO 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-20110021777-A1 PROCESS IMPROVEMENT PARP3, BRD3, CYP4F3 HTR2B 1757/4885HRH1 1005/4885KCNH2 1873/4885
US-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR CCR1, CCRL2, CCR4 HTR2B 541/4885HRH1 59/4885KCNH2 3390/4885
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF CCR1, CCR3, CCR4 HTR2B 478/4885HRH1 63/4885KCNH2 2997/4885

“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.