SCHEMBL283439

SCHEMBL283439

C=CCn1nc(C(C)(C)C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GRN P28799 4/20 0.34
SORT1 Q99523 4/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PRKDC P78527 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL3843249 0.78 KDM4E (0.46) KDM4EGRNSORT1ALDH1A1POLB
SCHEMBL4310512 0.78 GRN (0.59) KDM4EGRNSORT1ALDH1A1CNR1
SCHEMBL12789852 0.77 GRN (0.35) KDM4EGRNSORT1ALDH1A1CNR1
SCHEMBL15285079 0.77 POLB (0.49) KDM4EALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL30309940 0.76 RAB9A (0.34) ALDH1A1RAB9ASMN1; SMN2PIK3CDPIK3CA
SCHEMBL283910 0.75 KDM4E (0.44) KDM4EGRNSORT1ALDH1A1POLB
SCHEMBL674107 0.75 SMN1; SMN2 (0.32) POLBRAB9ASMN1; SMN2PIK3CDPIK3CA
SCHEMBL1924672 0.74 KDM4E (0.42) KDM4EGRNSORT1ALDH1A1POLB
SCHEMBL15069908 0.74 KDM4E (0.42) KDM4EGRNSORT1ALDH1A1POLB
SCHEMBL22505758 0.72 KDM4E (0.41) KDM4EGRNSORT1ALDH1A1POLB

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 9 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
EP-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO 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 KDM4E 1649/4885GRN 3283/4885SORT1 3951/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KDM4E 1649/4885GRN 3283/4885SORT1 3951/4885

“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.