SCHEMBL14123714

SCHEMBL14123714

O=C(CBr)c1ccc(CN2CCC(F)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
HTR2A P28223 1/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
GSK3B P49841 1/20 0.48
S1PR5 Q9H228 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
Bromide SCHEMBL14054045 0.98 HRH3 (0.56) HRH3HTR2ABCHEACHEGSK3B
SCHEMBL14123652 0.91 S1PR5 (0.51) HRH3S1PR5
Bromide SCHEMBL14054947 0.90 S1PR5 (0.50) HRH3S1PR5
SCHEMBL14058819 0.83 GSK3B (0.65) HRH3GSK3B
SCHEMBL14123713 0.82 HRH3 (0.59) HRH3MBTD1L3MBTL3L3MBTL1
Bromide SCHEMBL14054592 0.82 GSK3B (0.63) HRH3GSK3B
SCHEMBL4267783 0.81 GAA (0.66) HRH3HTR2AMBTD1L3MBTL3L3MBTL1
SCHEMBL14054465 0.81 HRH3 (0.61) HRH3HTR2AMBTD1L3MBTL3L3MBTL1
Bromide SCHEMBL14053619 0.81 HRH3 (0.57) HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL14123716 0.80 HDAC6 (0.64) HRH3GSK3B

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
WO-2012162461-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 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-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP9, MMP1, MMP3 HRH3 825/4885HTR2A 2552/4885BCHE 2065/4885

“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.