SCHEMBL283629

SCHEMBL283629

CC(C)(C)c1cc(N)n(Cc2ccc(F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
MAPT P10636 4/20 0.56
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SLC2A1 P11166 1/20 0.54
GAA P10253 1/20 0.51
POLB P06746 1/20 0.48
GRN P28799 2/20 0.46
SORT1 Q99523 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR1E P28566 1/20 0.44
S1PR3 Q99500 1/20 0.44
DHFR P00374 2/20 0.40
LMNA P02545 1/20 0.40
STAT3 P40763 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL10047706 0.86 POLB (0.65) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL1010749 0.84 GRN (0.62) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL22632977 0.82 CYP1A2 (0.46) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL4490129 0.77 GRN (0.78) ALDH1A1MAPTMAPK1NPSR1GAA
SCHEMBL28832519 0.74 CYP1A2 (0.44) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL28789751 0.74 SLC2A1 (0.51) ALDH1A1MAPTSLC2A1POLBSMN1; SMN2
SCHEMBL3843249 0.73 KDM4E (0.46) ALDH1A1POLBGRNSORT1SMN1; SMN2
SCHEMBL274692 0.73 NPC1 (0.57) MAPTMAPK1NPSR1GRNSORT1
SCHEMBL15069908 0.72 KDM4E (0.42) ALDH1A1MAPTMAPK1NPSR1POLB
SCHEMBL3077801 0.72 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPSR1SLC2A1

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
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R ALDH1A1 1940/4885MAPT 3688/4885MAPK1 1962/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R ALDH1A1 1940/4885MAPT 3688/4885MAPK1 1962/4885

“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.