SCHEMBL962567

SCHEMBL962567

O=C(/N=c1\sc(-c2ccc(F)cc2F)cn1CCO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.42
KCNQ2 O43526 10/20 0.42
CNR2 P34972 5/20 0.41
CNR1 P21554 2/20 0.41
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
P2RX7 Q99572 2/20 0.32

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
SCHEMBL962568 1.00 KCNQ3 (0.42) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL1614087 0.89 CNR2 (0.42) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL1614085 0.89 CNR2 (0.42) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL967646 0.89 KCNQ3 (0.42) KCNQ3KCNQ2CNR2CNR1NPSR1
SCHEMBL967645 0.89 KCNQ3 (0.42) KCNQ3KCNQ2CNR2CNR1NPSR1
SCHEMBL961267 0.86 KCNQ3 (0.45) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL961266 0.86 KCNQ3 (0.45) KCNQ3KCNQ2CNR2CNR1ALDH1A1
SCHEMBL963211 0.82 CNR2 (0.40) CNR2
SCHEMBL963210 0.82 CNR2 (0.40) CNR2
SCHEMBL1614298 0.81 CNR2 (0.38) CNR2

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 1238/4885CNR2 2/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KCNQ3 1246/4885KCNQ2 1238/4885CNR2 2/4885
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 1816/4885CNR2 5/4885

“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.