SCHEMBL2277773

SCHEMBL2277773

CC(C)(C)OC(=O)N1CC(Oc2cc(Br)ccc2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
GPR119 Q8TDV5 2/20 0.42
AAK1 Q2M2I8 2/20 0.41
PDE4B Q07343 6/20 0.41
TBK1 Q9UHD2 2/20 0.40
RORC P51449 2/20 0.39
AR P10275 2/20 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
SCHEMBL17631454 0.93 AAK1 (0.46) USP30GPR119AAK1PDE4BTBK1
SCHEMBL17645008 0.91 AAK1 (0.45) USP30GPR119AAK1PDE4BTBK1
SCHEMBL38660667 0.90 PDE4B (0.47) USP30GPR119PDE4BTBK1
SCHEMBL2274860 0.86 GPR119 (0.40) GPR119PDE4BTBK1
SCHEMBL18348317 0.85 TBK1 (0.52) USP30GPR119AAK1PDE4BTBK1
SCHEMBL2276050 0.83 USP30 (0.47) USP30PDE4BRORC
SCHEMBL24049588 0.82 USP30 (0.54) USP30GPR119PDE4BRORC
SCHEMBL2269383 0.82 USP30 (0.47) USP30PDE4BRORC
SCHEMBL2276593 0.82 PDE4B (0.57) USP30PDE4B
SCHEMBL2575862 0.82 PDE4B (0.53) USP30PDE4BRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010059390-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 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-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS HTR1A, HTR2A, HTR6 USP30 2632/4885GPR119 45/4885AAK1 2935/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A USP30 2765/4885GPR119 48/4885AAK1 3040/4885

“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.