SCHEMBL3386358

SCHEMBL3386358

Cc1csc(=N)n1CC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
PDE8B O95263 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
DUSP3 P51452 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
ADORA2B P29275 1/20 0.38
PDE1A P54750 4/20 0.37
PDE1B Q01064 4/20 0.37

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
SCHEMBL23749779 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL3218434 0.77 ALDH1A1 (0.42) EPHX2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL3218424 0.77 ALDH1A1 (0.42) EPHX2ALDH1A1KMT2ATSHRHSD17B10
Bromide SCHEMBL963221 0.73 KMT2A (0.44) EPHX2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL963754 0.72 BRD4 (0.42) EPHX2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL3386249 0.72 ALDH1A1 (0.39) EPHX2ALDH1A1KMT2ATSHRHSD17B10
Bromide SCHEMBL3386351 0.71 BRD4 (0.38) EPHX2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL2169593 0.70 KMT2A (0.50) EPHX2ALDH1A1KMT2ATSHRHSD17B10
SCHEMBL2169596 0.70 KMT2A (0.50) EPHX2ALDH1A1KMT2ATSHRHSD17B10
Bromide SCHEMBL3383397 0.69 KMT2A (0.49) EPHX2ALDH1A1KMT2ATSHRHSD17B10

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
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
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 EPHX2 597/4885ALDH1A1 898/4885KMT2A 1378/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 EPHX2 669/4885ALDH1A1 914/4885KMT2A 1609/4885

“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.