SCHEMBL1053446

SCHEMBL1053446

O=C(Nc1ncc(Br)s1)C12CC3CC(CC1C3)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.49
P2RX7 Q99572 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FPR2 P25090 8/20 0.42
FPR3 P25089 7/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL962327 0.86 CNR2 (0.53) EPHX2CNR1CNR2
SCHEMBL4826893 0.70 MAPK10 (0.46) MAPK10SMN1; SMN2FPR2FPR3CCNE1
SCHEMBL963487 0.70 CNR2 (0.53) EPHX2CNR1CNR2
SCHEMBL20270816 0.69 SMN1; SMN2 (0.58) MAPK10SMN1; SMN2FPR2FPR3CCNE1
SCHEMBL6729 0.68 CCNE1 (0.59) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL986246 0.68 CNR2 (0.42) ADORA1P2RX7EPHX2CNR1CNR2
SCHEMBL14476229 0.67 SMN1; SMN2 (0.55) MAPK10SMN1; SMN2FPR2FPR3CCNE1
SCHEMBL1749806 0.67 SMN1; SMN2 (0.59) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL963181 0.67 CNR1 (0.50) EPHX2CNR1CNR2
SCHEMBL4093014 0.66 CNR2 (0.55) ADORA1P2RX7CNR1CNR2

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 109/4885P2RX7 101/4885EPHX2 398/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ADORA1 109/4885P2RX7 101/4885EPHX2 398/4885
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 8/4885P2RX7 41/4885EPHX2 437/4885

“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.