SCHEMBL344352

SCHEMBL344352

COc1ccc(Cl)cc1C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HPGD P15428 4/20 0.67
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.60
KCNMA1 Q12791 4/20 0.60
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL2812130 0.88 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL345604 0.81 KCNMA1 (0.61) ALDH1A1HPGDKDM4EHSD17B10KCNMA1
SCHEMBL6312067 0.80 NPC1 (0.68) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL944850 0.80 KCNMA1 (0.57) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL17318616 0.80 KCNMA1 (0.65) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL2814341 0.79 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EHSD17B10KCNMA1
SCHEMBL345091 0.77 KCNMA1 (0.67) ALDH1A1HPGDKDM4EHSD17B10KCNMA1
SCHEMBL3783158 0.77 NLRP3 (0.66) MEN1KMT2A
SCHEMBL9713321 0.77 TP53 (0.70) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL3387532 0.76 KCNMA1 (0.56) ALDH1A1HPGDKDM4EHSD17B10SMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US disclosed
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
EP-2331516-B1 IMINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LAB (US) 2013-03-13 EP disclosed
US-8338467-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2012-12-25 US disclosed
US-8173687-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-8058293-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-11-15 US disclosed
CN-102123993-A Imine derivatives as cannabinoid receptor ligands ABBOTT LAB 2011-07-13 CN disclosed
EP-2331516-A1 IMINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-06-15 EP disclosed
EP-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 EP disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010019547-A1 IMINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-02-18 WO disclosed
US-20100041720-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-02-18 US disclosed
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-10-01 US disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 WO disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 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 (5 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 926/4885HPGD 2088/4885KDM4E 1901/4885
US-20100041720-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R ALDH1A1 2542/4885HPGD 2365/4885KDM4E 1964/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 660/4885HPGD 1294/4885KDM4E 1939/4885
US-20120015929-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 ALDH1A1 1685/4885HPGD 2230/4885KDM4E 1655/4885
US-20090247500-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 ALDH1A1 1685/4885HPGD 2230/4885KDM4E 1655/4885

“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.