SCHEMBL13627256

SCHEMBL13627256

CCN1CC(OC(=O)c2ccc3ccccc3c2)CC1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
BDKRB2 P30411 2/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LGALS9 O00182 1/20 0.38
LGALS8 O00214 1/20 0.38
LGALS1 P09382 1/20 0.38
LGALS3 P17931 1/20 0.38
LGALS7; LGALS7B P47929 1/20 0.38
BCHE P06276 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10025293 0.84 HRH3 (0.40) HRH3BDKRB2DRD3KMT2ALGALS9
SCHEMBL12849169 0.84 BDKRB2 (0.45) HRH3BDKRB2DRD3KMT2ASLC6A2
SCHEMBL12849168 0.79 KDM4E (0.35) HRH3DRD3
SCHEMBL15490446 0.75 KMT2A (0.42) HRH3DRD3KMT2ANPC1RAB9A
SCHEMBL14877497 0.74 KMT2A (0.46) HRH3DRD3KMT2ANPC1RAB9A
SCHEMBL12416123 0.73 NPC1 (0.39) HRH3DRD3KMT2ALGALS9LGALS8
SCHEMBL8278740 0.72 HRH3 (0.44) HRH3DRD3KMT2ANPC1RAB9A
SCHEMBL10306601 0.70 KMT2A (0.68) HRH3DRD3KMT2ANPC1RAB9A
SCHEMBL14534898 0.68 HTR3A (0.35) KMT2AALDH1A1
SCHEMBL11067038 0.68 HRH3 (0.52) HRH3DRD3LGALS9LGALS8LGALS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-7365092-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 HRH3 3881/4885BDKRB2 4316/4885DRD3 4621/4885

“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.