SCHEMBL3387559

SCHEMBL3387559

COCCn1c(=NC(=O)c2cc(F)ccc2OC)sc2cc(F)ccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.63
HPGD P15428 10/20 0.53
KDM4E B2RXH2 9/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 8/20 0.50
RXFP1 Q9HBX9 4/20 0.49
TP53 P04637 2/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL3387553 1.00 NPSR1 (0.63) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3383573 0.93 NPSR1 (0.58) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3383568 0.93 NPSR1 (0.58) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3387461 0.82 NPSR1 (0.56) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3387455 0.82 NPSR1 (0.56) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3387380 0.81 NPSR1 (0.55) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3387375 0.81 NPSR1 (0.55) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3385105 0.80 KDM4E (0.51) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL3385101 0.80 KDM4E (0.51) NPSR1HPGDKDM4EMAPTRAB9A
SCHEMBL5127454 0.78 NPSR1 (0.64) NPSR1HPGDKDM4EMAPTRAB9A

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 NPSR1 4/4885HPGD 2262/4885KDM4E 2095/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 4/4885HPGD 2066/4885KDM4E 2535/4885

“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.