SCHEMBL3386924

SCHEMBL3386924

Cc1cn(CCN2CCOCC2)c(=N)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.39
CNR1 P21554 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL946076 0.80 SIGMAR1 (0.40) LMNAUSP2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL962770 0.69 LMNA (0.38) LMNAUSP2SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5050855 0.68 LMNA (0.40) LMNAUSP2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL27626770 0.67 RAB9A (0.49) LMNAUSP2CNR1SMN1; SMN2ALDH1A1
SCHEMBL19959641 0.66 POLB (0.47) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL235080 0.65 KDM4E (0.65) USP2SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3383161 0.65 KMT2A (0.41) CNR1ALDH1A1KDM4EMAPTHPGD
SCHEMBL3077701 0.65 KDM1A (0.42) LMNAUSP2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL279694 0.64 HTR1A (0.57) LMNAALDH1A1TP53MAPTHTT
SCHEMBL14553277 0.63 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1MAPK1CYP1A2

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
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
CN-101925300-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2010-12-22 CN disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 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 (1 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 LMNA 1606/4885USP2 3596/4885CNR1 1/4885

“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.