SCHEMBL2076077

SCHEMBL2076077

CC(C)(C)OC(=O)N1CCc2c(n(Cc3ccccc3)[nH]c2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
P2RX3 P56373 1/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
ACHE P22303 2/20 0.43
STS P08842 1/20 0.43
BCHE P06276 1/20 0.42
HTR6 P50406 1/20 0.42
DTYMK P23919 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21041596 0.82 P2RX3 (0.48) HDAC1HDAC6P2RX3OPRD1OPRK1
SCHEMBL20832032 0.79 HDAC1 (0.44) HDAC1HDAC6P2RX3MAPK1DDB1
SCHEMBL20831357 0.78 HDAC1 (0.43) HDAC1HDAC6P2RX3GPR119MAPK1
SCHEMBL20547140 0.76 ADORA1 (0.43) GPR119MAPK1PARP1DDB1CRBN
SCHEMBL6421345 0.75 HDAC1 (0.67) HDAC1HDAC6
SCHEMBL2074302 0.75 OPRD1 (0.47) HDAC1HDAC6OPRD1OPRK1GPR119
SCHEMBL327042 0.75 TP53 (0.50) HDAC1HDAC6OPRD1OPRK1GPR119
SCHEMBL8210703 0.74 KMT2A (0.55) CHRM2CHRM4CHRM1CHRM3PKM
SCHEMBL2862442 0.73 ALDH1A1 (0.60) CHRM2CHRM4CHRM1CHRM3MAPK1
SCHEMBL19110574 0.73 P2RX3 (0.46) HDAC1HDAC6P2RX3OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
EP-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 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 (4 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885P2RX3 296/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885P2RX3 296/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885P2RX3 296/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HDAC1 560/4885HDAC6 466/4885P2RX3 296/4885

“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.