SCHEMBL2073807

SCHEMBL2073807

CC(C)(C)OC(=O)N1CCc2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.57
PTGS1 P23219 7/20 0.57
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.44
CACNB4 O00305 2/20 0.44
CACNA1A O00555 2/20 0.44
CACNA1G O43497 2/20 0.44
CACNG3 O60359 2/20 0.44
CACNA1F O60840 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNB3 P54284 2/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNG7 P62955 2/20 0.44

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
SCHEMBL10095068 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL2073889 0.84 HTR7 (0.56)
SCHEMBL2075779 0.82 HTR7 (0.51) NPSR1LMNA
SCHEMBL2077035 0.81 KCNK3 (0.51) MEN1KMT2ANPSR1
SCHEMBL24417770 0.80 P2RX7 (0.52)
SCHEMBL20547247 0.80 CKS1B (0.51)
SCHEMBL2076487 0.79 CTSS (0.45) MEN1USP2HPGDKMT2ANPSR1
SCHEMBL2074365 0.78 CTSS (0.53) TP53LMNACACNB4CACNA1ACACNA1G
SCHEMBL2076503 0.78 CTSS (0.46) MEN1KMT2ANPSR1CACNB4CACNA1A
SCHEMBL2076212 0.77 KCNK3 (0.47) MEN1KMT2ANPSR1

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-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
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 PTGS2 415/4885PTGS1 304/4885MEN1 1063/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B PTGS2 415/4885PTGS1 304/4885MEN1 1063/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B PTGS2 415/4885PTGS1 304/4885MEN1 1063/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B PTGS2 415/4885PTGS1 304/4885MEN1 1063/4885

“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.