SCHEMBL4814583

SCHEMBL4814583

COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.55
HRH3 Q9Y5N1 6/20 0.49
MALT1 Q9UDY8 1/20 0.46
SUV39H2 Q9H5I1 5/20 0.43
ALK Q9UM73 2/20 0.42
DOCK5 Q9H7D0 1/20 0.40
STS P08842 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL23529148 0.88 USP30 (0.55) USP30HRH3MALT1SUV39H2STS
SCHEMBL1639007 0.80 SUV39H2 (0.60) SUV39H2ALK
SCHEMBL31342592 0.80 SUV39H2 (0.44) SUV39H2ALKGPR119
SCHEMBL23529086 0.80 ROCK2 (0.49) USP30HRH3MALT1ALKGPR119
SCHEMBL2478632 0.79 HRH3 (0.57) USP30HRH3GPR119
SCHEMBL22396214 0.78 USP30 (0.66) USP30HRH3GPR119
SCHEMBL2633790 0.77 USP30 (0.52) USP30HRH3GPR119
SCHEMBL3078681 0.77 KDM4E (0.49) SUV39H2STS
SCHEMBL17760752 0.77 USP30 (0.56) USP30HRH3GPR119
SCHEMBL12065331 0.77 HRH3 (0.56) USP30HRH3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
WO-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO disclosed
EP-1720545-A1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES ChemoCentryx Inc (US) 2006-11-15 EP disclosed
US-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2006-04-06 US disclosed
US-20050234034-A1 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2005-10-20 US disclosed
WO-2005084667-A1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2005-09-15 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 (2 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-20050234034-A1 Bicyclic and bridged nitrogen heterocycles CCR3, CCR1, CCR2 USP30 3765/4885HRH3 74/4885MALT1 579/4885
US-20060074121-A1 Bicyclic and bridged nitrogen heterocycles CCR3, CCR1, CCR2 USP30 3765/4885HRH3 74/4885MALT1 579/4885

“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.