SCHEMBL2075799

SCHEMBL2075799

CC1CN(C(=O)OC(C)(C)C)CCc2nn(C3CCCCC3)c(-c3ccc(Cl)cc3)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
NR3C1 P04150 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
STS P08842 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38

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 0.85 CNR1 (0.46) CNR1CNR2NR3C1MEN1KMT2A
SCHEMBL2073916 0.85 CNR1 (0.46) CNR1CNR2NR3C1MEN1KMT2A
SCHEMBL2073845 0.82 CNR1 (0.46) CNR1CNR2NR3C1MEN1KMT2A
SCHEMBL2073606 0.79 CNR1 (0.45) CNR1CNR2NR3C1MEN1KMT2A
SCHEMBL2074550 0.76 HTR2A (0.50) CNR1GPR119PIK3CDPIK3R2PIK3CA
SCHEMBL2076344 0.73 CNR1 (0.44) CNR1CNR2MEN1KMT2AUSP2
SCHEMBL2076393 0.72 CNR1 (0.46) CNR1CNR2MEN1KMT2AUSP2
SCHEMBL2076487 0.71 CTSS (0.45) CNR1CNR2NR3C1MEN1KMT2A
SCHEMBL2077130 0.70 CNR1 (0.40) CNR1CNR2MEN1KMT2AALOX5
SCHEMBL2076606 0.70 MEN1 (0.47) CNR1CNR2MEN1KMT2AUSP2

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 4 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-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-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 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 (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-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CNR1 130/4885CNR2 93/4885NR3C1 104/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CNR1 130/4885CNR2 93/4885NR3C1 104/4885

“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.