SCHEMBL5203538

SCHEMBL5203538

COC(=O)c1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KDM4D Q6B0I6 2/20 0.50
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
GPR119 Q8TDV5 4/20 0.49
BTK Q06187 1/20 0.48
NAMPT P43490 1/20 0.47
SUV39H2 Q9H5I1 1/20 0.46
CTSK P43235 2/20 0.45
KCNA3 P22001 1/20 0.45
EPHX2 P34913 1/20 0.44
DRD2 P14416 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL8603748 0.93 KDM4D (0.53) ALDH1A1KDM4DCKS1BSKP1SKP2
SCHEMBL14155926 0.93 KDM4D (0.53) ALDH1A1KDM4DCKS1BSKP1SKP2
SCHEMBL383106 0.89 USP2 (0.56) CKS1BSKP1SKP2GPR119NAMPT
SCHEMBL3769327 0.89 GPR119 (0.62) ALDH1A1CKS1BSKP1SKP2GPR119
SCHEMBL381643 0.88 CKS1B (0.48) ALDH1A1CKS1BSKP1SKP2GPR119
SCHEMBL5204853 0.88 GPR119 (0.63) CKS1BSKP1SKP2GPR119BTK
SCHEMBL17557723 0.86 MAPT (0.56) ALDH1A1CKS1BSKP1SKP2GPR119
SCHEMBL15631969 0.86 BTK (0.61) ALDH1A1KDM4DBTKCTSK
SCHEMBL3282162 0.86 KDM4D (0.51) KDM4DCKS1BSKP1SKP2GPR119
SCHEMBL3130708 0.86 CKS1B (0.52) CKS1BSKP1SKP2GPR119NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US disclosed
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 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-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 ALDH1A1 1619/4885KDM4D 1065/4885CKS1B 1466/4885
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 ALDH1A1 1414/4885KDM4D 3741/4885CKS1B 1356/4885

“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.