SCHEMBL3386342

SCHEMBL3386342

COCCn1c(C)c(C)sc1=NC(=O)c1cc(OC)ccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.58
CLK2 P49760 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
CNR2 P34972 5/20 0.50
CNR1 P21554 4/20 0.50
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 8/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MITF O75030 1/20 0.39
NOD1 Q9Y239 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL3386336 1.00 PIM1 (0.58) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3388320 0.85 PIM1 (0.59) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3388312 0.85 PIM1 (0.59) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3383390 0.83 KDM4E (0.51) CNR2CNR1RAB9ANPC1RXFP1
SCHEMBL3383394 0.83 KDM4E (0.51) CNR2CNR1RAB9ANPC1RXFP1
SCHEMBL3387028 0.78 PIM1 (0.61) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3387023 0.78 PIM1 (0.61) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3384552 0.77 PIM1 (0.63) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3384557 0.77 PIM1 (0.63) PIM1CLK2CLK4CNR2CNR1
SCHEMBL3384576 0.77 PIM1 (0.60) PIM1CLK2CLK4CNR2CNR1

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 5 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
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 PIM1 3054/4885CLK2 2185/4885CLK4 2652/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 PIM1 3231/4885CLK2 2281/4885CLK4 2949/4885

“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.