SCHEMBL3387296

SCHEMBL3387296

Cc1nc(C(N)=O)sc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
IKBKB O14920 1/20 0.43
AOC3 Q16853 1/20 0.39
MAPK1 P28482 2/20 0.39
PIK3R1 P27986 2/20 0.39
MTOR P42345 1/20 0.39
NUDT1 P36639 1/20 0.38
SLC9A1 P19634 1/20 0.38
HPGD P15428 1/20 0.38
PIK3CG P48736 3/20 0.38
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL3382272 0.76 FBP1 (0.45) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL21889868 0.75 PIK3CD (0.45) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL5875635 0.74 PIK3CD (0.38) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL3173938 0.73 ALOX5 (0.48) PIK3CAPIK3CDPIK3CBALDH1A1HTT
SCHEMBL3152343 0.73 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBKDM4EHTT
Hydrochloric Acid SCHEMBL5010640 0.72 PIK3CD (0.74) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL18412876 0.71 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL3094649 0.70 KDM4E (0.63) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL28725552 0.70 IKBKB (0.43) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL20369891 0.69 PIK3CD (0.40) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 PIK3CA 707/4885PIK3CD 1426/4885PIK3CB 1343/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 PIK3CA 854/4885PIK3CD 1682/4885PIK3CB 1617/4885

“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.