SCHEMBL3383178

SCHEMBL3383178

O=C(Cl)c1ccc2c3c(cccc13)CC2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.69
KDM4E B2RXH2 12/20 0.69
HPGD P15428 7/20 0.69
POLB P06746 1/20 0.58
MAPT P10636 6/20 0.55
LMNA P02545 5/20 0.55
HSD17B10 Q99714 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL3387834 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL31599457 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL3528800 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL31599466 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL29820418 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL8901363 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL18499908 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL26184896 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL7741128 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL14876903 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDPOLBMAPT

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 11 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
CN-102442970-A Thiazole compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2012-05-09 CN 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
CN-101454302-A Thiazole compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB (US) 2009-06-10 CN disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 US disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO 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 ALDH1A1 898/4885KDM4E 2095/4885HPGD 2262/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 914/4885KDM4E 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.