SCHEMBL961869

SCHEMBL961869

Nc1nc2c(s1)CCc1nonc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
MAPT P10636 3/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
MPI P34949 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
Bromide SCHEMBL3384900 0.98 ADORA1 (0.41) ADORA1MAPTAPOBEC3AAPOBEC3GALDH1A1
Bromide SCHEMBL3441331 0.75 ALDH1A1 (0.43) MAPTAPOBEC3AAPOBEC3GALDH1A1KDM4E
SCHEMBL10665354 0.65 ADORA1 (0.60) ADORA1MAPTALDH1A1KDM4ELMNA
SCHEMBL8073174 0.62 ADORA1 (0.37) ADORA1MAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL2762670 0.62 ADORA1 (0.58) ADORA1MAPTALDH1A1KDM4ELMNA
SCHEMBL13125950 0.60 APOBEC3A (0.52) ADORA1MAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL6092821 0.60 ALDH1A1 (0.52) ADORA1MAPTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL1745165 0.60 ADORA1 (0.97) ADORA1MAPTALDH1A1KDM4ELMNA
SCHEMBL30953833 0.60 ADORA1 (0.97) ADORA1MAPTALDH1A1KDM4ELMNA
SCHEMBL23042072 0.59 ADORA1 (0.58) ADORA1MAPTALDH1A1KDM4ELMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (3 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ADORA1 109/4885MAPT 2320/4885APOBEC3A 3278/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ADORA1 109/4885MAPT 2320/4885APOBEC3A 3278/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 ADORA1 8/4885MAPT 1465/4885APOBEC3A 1659/4885

“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.