SCHEMBL14123710

SCHEMBL14123710

CC(C)N1CCN(Cc2ccc(C(=O)CBr)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.61
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNH2 Q12809 1/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45

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 SCHEMBL14054234 0.99 HRH3 (0.60) HRH3HDAC4HDAC1ALDH1A1CYP3A4
SCHEMBL27486206 0.84 HRH3 (0.66) HRH3HDAC4HDAC1ALDH1A1MAPT
SCHEMBL14123716 0.84 HDAC6 (0.64) HRH3HDAC4HDAC1ALDH1A1CYP3A4
SCHEMBL14054423 0.84 HRH3 (0.66) HRH3HDAC4HDAC1HDAC6KCNH2
Bromide SCHEMBL14054339 0.82 HDAC6 (0.62) HRH3HDAC4HDAC1ALDH1A1CYP3A4
SCHEMBL3311684 0.82 HRH3 (0.64) HRH3HDAC4HDAC1HDAC6KCNH2
SCHEMBL1177694 0.81 HRH3 (0.89) HRH3
SCHEMBL14058819 0.78 GSK3B (0.65) HRH3ALDH1A1
SCHEMBL14123713 0.77 HRH3 (0.59) HRH3ALDH1A1CYP3A4CYP2D6MAPT
SCHEMBL23844655 0.77 POLB (0.57) HRH3ALDH1A1POLB

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-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
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

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 825/4885HDAC4 345/4885HDAC1 160/4885

“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.