SCHEMBL3387064

SCHEMBL3387064

Cc1cn(CC2CCO2)c(=N)s1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 5/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31

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
SCHEMBL3383161 0.92 KMT2A (0.41) BRD4ALDH1A1KMT2APOLBKDM4E
SCHEMBL944233 0.92 KMT2A (0.41) BRD4ALDH1A1KMT2APOLBKDM4E
SCHEMBL944234 0.92 KMT2A (0.41) BRD4ALDH1A1KMT2APOLBKDM4E
SCHEMBL963754 0.91 BRD4 (0.42) BRD4GRIN2BALDH1A1KMT2APOLB
SCHEMBL3383498 0.82 CNR1 (0.35) KMT2ACNR1CNR2
SCHEMBL963494 0.79 BRD4 (0.41) BRD4CNR1CNR2
SCHEMBL3386784 0.77 ALDH1A1 (0.41) BRD4ALDH1A1KMT2APOLBKDM4E
SCHEMBL3384679 0.77 CNR2 (0.39) BRD4GRIN2BKDM4EGAACNR1
SCHEMBL3387538 0.75 BRD4 (0.45) BRD4GRIN2BCNR1CNR2
SCHEMBL3386311 0.74 CNR2 (0.44) CNR2

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 8 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-101925300-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2010-12-22 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
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 BRD4 1149/4885GRIN2B 446/4885ALDH1A1 898/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 BRD4 1318/4885GRIN2B 440/4885ALDH1A1 914/4885

“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.