SCHEMBL3387095

SCHEMBL3387095

COCCn1/c(=N/C(=O)CC2CCCCC2)sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 7/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 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
SCHEMBL3387100 1.00 HPGD (0.51) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL3388878 0.99 HPGD (0.50) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL3388876 0.99 HPGD (0.50) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL3386246 0.85 ALDH1A1 (0.50) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL3386250 0.85 ALDH1A1 (0.50) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL5121982 0.85 ALDH1A1 (0.50) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL5121977 0.85 ALDH1A1 (0.50) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL3380941 0.85 NPSR1 (0.67) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL3380933 0.85 NPSR1 (0.67) HPGDSMN1; SMN2KDM4ELMNATSHR
SCHEMBL3384536 0.84 ALDH1A1 (0.49) HPGDSMN1; SMN2KDM4ELMNATSHR

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 HPGD 2262/4885SMN1; SMN2 2433/4885KDM4E 2095/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 HPGD 2066/4885SMN1; SMN2 2336/4885KDM4E 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.