SCHEMBL964563

SCHEMBL964563

Cn1c(=NC(=O)C23CC4CC(CC(C4)C2)C3)sc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.69
KCNQ2 O43526 7/20 0.69
CNR1 P21554 1/20 0.69
CNR2 P34972 1/20 0.69
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL964561 1.00 KCNQ3 (0.69) KCNQ3KCNQ2CNR1CNR2RAB9A
SCHEMBL961828 0.83 CNR2 (0.94) KCNQ3KCNQ2CNR1CNR2ALDH1A1
SCHEMBL961830 0.83 CNR2 (0.94) KCNQ3KCNQ2CNR1CNR2ALDH1A1
SCHEMBL966963 0.82 CNR2 (0.74) KCNQ3KCNQ2CNR1CNR2RAB9A
SCHEMBL966964 0.82 CNR2 (0.74) KCNQ3KCNQ2CNR1CNR2RAB9A
SCHEMBL17007607 0.81 CNR1 (0.70) KCNQ3KCNQ2CNR1CNR2RAB9A
SCHEMBL17007608 0.81 CNR1 (0.70) KCNQ3KCNQ2CNR1CNR2RAB9A
SCHEMBL967061 0.81 CNR2 (0.69) KCNQ3KCNQ2CNR1CNR2ALDH1A1
SCHEMBL964313 0.81 CNR2 (0.78) KCNQ3KCNQ2CNR1CNR2ALDH1A1
SCHEMBL964314 0.81 CNR2 (0.78) KCNQ3KCNQ2CNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 KCNQ3 1246/4885KCNQ2 1238/4885CNR1 1/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNQ3 1246/4885KCNQ2 1238/4885CNR1 1/4885
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 KCNQ3 1366/4885KCNQ2 1816/4885CNR1 10/4885

“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.