SCHEMBL3387461

SCHEMBL3387461

COCCn1c(=NC(=O)c2cc(F)ccc2F)sc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.56
RAB9A P51151 3/20 0.51
HPGD P15428 8/20 0.50
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 5/20 0.49
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 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
SCHEMBL3387455 1.00 NPSR1 (0.56) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3387380 0.91 NPSR1 (0.55) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3387375 0.91 NPSR1 (0.55) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3384360 0.88 CNR2 (0.55) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3384355 0.88 CNR2 (0.55) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3386242 0.86 CNR1 (0.55) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3386237 0.86 CNR1 (0.55) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3385415 0.84 CNR1 (0.53) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3385410 0.84 CNR1 (0.53) NPSR1RAB9AHPGDKDM4EALDH1A1
SCHEMBL3384493 0.84 CNR1 (0.52) NPSR1RAB9AHPGDKDM4EALDH1A1

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 NPSR1 4/4885RAB9A 1297/4885HPGD 2262/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 4/4885RAB9A 1315/4885HPGD 2066/4885

“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.