SCHEMBL3380933

SCHEMBL3380933

COCCn1/c(=N/C(=O)CC2CCCC2)sc2cc(F)ccc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.67
KDM4E B2RXH2 7/20 0.53
HPGD P15428 6/20 0.53
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 7/20 0.48
PKM P14618 2/20 0.48
RXFP1 Q9HBX9 6/20 0.47
TP53 P04637 3/20 0.46
POLB P06746 3/20 0.46
FPR1 P21462 1/20 0.45
MAPT P10636 4/20 0.45
XBP1 P17861 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL3380941 1.00 NPSR1 (0.67) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3386580 0.92 NPSR1 (0.64) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3386479 0.92 NPSR1 (0.64) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3388876 0.86 HPGD (0.50) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3388878 0.86 HPGD (0.50) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3387100 0.85 HPGD (0.51) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3387095 0.85 HPGD (0.51) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL5127454 0.79 NPSR1 (0.64) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3386154 0.79 NPSR1 (0.64) NPSR1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL3386158 0.79 NPSR1 (0.64) NPSR1KDM4EHPGDTSHRSMN1; SMN2

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 NPSR1 4/4885KDM4E 2095/4885HPGD 2262/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 4/4885KDM4E 2535/4885HPGD 2066/4885

“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.