SCHEMBL2274503

SCHEMBL2274503

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
PDE4B Q07343 8/20 0.41
RORC P51449 2/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 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
SCHEMBL15058234 0.86 RBP4 (0.45) USP30PDE4BCACNB4CACNA1ACACNA1G
SCHEMBL2276050 0.84 USP30 (0.47) USP30PDE4BRORCCACNB4CACNA1A
SCHEMBL2269383 0.83 USP30 (0.47) USP30PDE4BRORCCACNB4CACNA1A
SCHEMBL2276593 0.83 PDE4B (0.57) USP30PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL2575862 0.83 PDE4B (0.53) USP30PDE4BRORCPIK3CDPIK3CA
SCHEMBL24049588 0.83 USP30 (0.54) USP30PDE4BRORCCACNB4CACNA1A
SCHEMBL15058534 0.83 USP30 (0.46) USP30PDE4BRORCCACNB4CACNA1A
SCHEMBL3400190 0.82 PDE4B (0.49) USP30PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL3400187 0.82 PDE4B (0.49) USP30PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL279184 0.82 PDE4B (0.49) USP30PDE4BPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US disclosed
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS 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 (5 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 2632/4885PDE4B 1998/4885RORC 808/4885
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A USP30 3378/4885PDE4B 1403/4885RORC 477/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A USP30 3342/4885PDE4B 1383/4885RORC 524/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C USP30 3938/4885PDE4B 1420/4885RORC 554/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A USP30 2765/4885PDE4B 2057/4885RORC 1031/4885

“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.