SCHEMBL14739432

SCHEMBL14739432

O=c1cc(NCCN2CCOCC2)cnn1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
ATM Q13315 1/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
KDM4E B2RXH2 2/20 0.42
MALT1 Q9UDY8 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL13740737 0.68 MEN1 (0.42) MEN1KMT2ANPC1RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL22572982 0.68 L3MBTL1 (0.53) MEN1KMT2AAPAF1L3MBTL1SMN1; SMN2
SCHEMBL25238211 0.68 NPC1 (0.49) MEN1KMT2AAPAF1NSD2NPC1
SCHEMBL6671580 0.68 CYP3A4 (0.56) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4855643 0.68 RAB9A (0.58) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL9527520 0.68 HTR7 (0.55) HSD17B10SIGMAR1
SCHEMBL5549334 0.67 MEN1 (0.68) MEN1KMT2AAPAF1NSD2RAB9A
SCHEMBL9530968 0.67 DRD2 (0.52) LMNAGAA
SCHEMBL24559082 0.67 SMN1; SMN2 (0.53) MEN1KMT2AAPAF1NSD2SMN1; SMN2
SCHEMBL19409870 0.66 MALT1 (0.69) MEN1KMT2AAPAF1NSD2NPC1

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-9670216-B2 Cannabinoid-2 agonists ALLERGAN, INC. (US) 2017-06-06 US disclosed
US-20150284400-A1 CANNABINOID-2 AGONISTS ALLERGAN, INC. 2015-10-08 US disclosed
US-9062004-B2 Cannabinoid-2 agonists ALLERGAN, INC. (US) 2015-06-23 US disclosed
US-20130059848-A1 CANNABINOID-2 AGONISTS ALLERGAN, INC (US) 2013-03-07 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-20150284400-A1 CANNABINOID-2 AGONISTS CNR2, CNR1, GPR18 MEN1 2059/4885KMT2A 1443/4885APAF1 4656/4885
US-20130059848-A1 CANNABINOID-2 AGONISTS CNR2, CNR1, GPR18 MEN1 2186/4885KMT2A 1864/4885APAF1 4607/4885

“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.