SCHEMBL2074550

SCHEMBL2074550

CC(C)(C)OC(=O)N1CCc2nn(C3CCCCC3)c(-c3ccccc3)c2CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
PIK3CD O00329 3/20 0.46
PIK3R2 O00459 3/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3R5 Q8WYR1 3/20 0.46
PIK3R3 Q92569 3/20 0.46
CNR1 P21554 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OGFRL1 Q5TC84 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
UCHL1 P09936 1/20 0.43
C5AR1 P21730 2/20 0.42
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41

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
SCHEMBL2073861 0.90 CNR1 (0.46) HTR2AHTR2CHTR2BPIK3CDPIK3R2
SCHEMBL2073916 0.90 CNR1 (0.46) HTR2AHTR2CHTR2BPIK3CDPIK3R2
SCHEMBL2073845 0.87 CNR1 (0.46) HTR2AHTR2CHTR2BPIK3CDPIK3R2
SCHEMBL24417772 0.82 P2RX7 (0.52) GPR119UCHL1C5AR1CKS1BSKP1
SCHEMBL2073606 0.82 CNR1 (0.45) HTR2AHTR2CHTR2BPIK3CDPIK3R2
SCHEMBL2075831 0.80 C5AR1 (0.52) HTR2AHTR2CHTR2BCNR1GPR119
SCHEMBL2076034 0.78 OPRD1 (0.45) OPRD1GPR119C5AR1CKS1BSKP1
SCHEMBL2076532 0.77 EPHX1 (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2075799 0.76 CNR1 (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2074777 0.75 GPR119 (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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-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
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
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US 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 HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885

“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.