SCHEMBL3388341

SCHEMBL3388341

COCCn1cc(-c2ccc(F)cc2F)sc1=NC(=O)NC1CCC(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.46
CNR1 P21554 9/20 0.37
CNR2 P34972 8/20 0.37
DPP4 P27487 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL3388336 1.00 ACKR3 (0.46) ACKR3CNR1CNR2DPP4NPSR1
SCHEMBL5127027 0.93 ACKR3 (0.47) ACKR3CNR1CNR2NPSR1POLB
SCHEMBL5127024 0.93 ACKR3 (0.47) ACKR3CNR1CNR2NPSR1POLB
SCHEMBL962347 0.84 ACKR3 (0.41) ACKR3CNR1CNR2NPSR1CHRM3
SCHEMBL962348 0.84 ACKR3 (0.41) ACKR3CNR1CNR2NPSR1CHRM3
SCHEMBL965271 0.82 NPSR1 (0.45) ACKR3CNR1CNR2NPSR1TP53
SCHEMBL965273 0.82 NPSR1 (0.45) ACKR3CNR1CNR2NPSR1TP53
SCHEMBL964327 0.81 CNR2 (0.48) ACKR3CNR1CNR2
SCHEMBL964329 0.81 CNR2 (0.48) ACKR3CNR1CNR2
SCHEMBL3381184 0.80 ATM (0.38) ACKR3CNR1CNR2NPSR1MEN1

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 ACKR3 467/4885CNR1 1/4885CNR2 2/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ACKR3 434/4885CNR1 1/4885CNR2 2/4885

“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.