SCHEMBL3384499

SCHEMBL3384499

COCCn1c(=NC(=O)C2C(C)(C)C2(C)C)sc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.63
CNR2 P34972 6/20 0.63
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.48
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
XBP1 P17861 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
SCHEMBL3384497 1.00 CNR1 (0.63) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL3384878 0.93 CNR2 (0.55) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL3384875 0.93 CNR2 (0.55) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL3386154 0.85 NPSR1 (0.64) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL5127454 0.85 NPSR1 (0.64) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL3386158 0.85 NPSR1 (0.64) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL3384541 0.83 ALDH1A1 (0.49) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL3384536 0.83 ALDH1A1 (0.49) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL5121982 0.82 ALDH1A1 (0.50) CNR1CNR2ALDH1A1KMT2AHPGD
SCHEMBL3386246 0.82 ALDH1A1 (0.50) CNR1CNR2ALDH1A1KMT2AHPGD

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 4 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
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US 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 CNR1 1/4885CNR2 2/4885ALDH1A1 898/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885ALDH1A1 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.