SCHEMBL3386479

SCHEMBL3386479

COCCn1c(=NC(=O)CC2CCOCC2)sc2cc(F)ccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.64
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 6/20 0.48
TP53 P04637 3/20 0.48
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 8/20 0.46
PKM P14618 2/20 0.46
POLB P06746 2/20 0.44
FPR1 P21462 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
XBP1 P17861 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
SCHEMBL3386580 1.00 NPSR1 (0.64) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3380941 0.92 NPSR1 (0.67) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3380933 0.92 NPSR1 (0.67) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3388878 0.77 HPGD (0.50) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3388876 0.77 HPGD (0.50) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL5127454 0.77 NPSR1 (0.64) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3386154 0.77 NPSR1 (0.64) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3387095 0.77 HPGD (0.51) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3387100 0.77 HPGD (0.51) NPSR1KMT2ARXFP1TP53KDM4E
SCHEMBL3386158 0.77 NPSR1 (0.64) NPSR1KMT2ARXFP1TP53KDM4E

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 5 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
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US 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 NPSR1 4/4885KMT2A 1378/4885RXFP1 10/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 4/4885KMT2A 1609/4885RXFP1 6/4885

“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.