Sugi Predict

Sugi Predict / Compounds / SCHEMBL961427

SCHEMBL961427

SCHEMBL961427

C=CCCCn1c(C)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.49
▸ CNR1 P21554 7/20 0.49
▸ KCNQ3 O43525 2/20 0.31
▸ KCNQ2 O43526 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD11B1 P28845 2/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL961428 1.00 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL965518 0.93 CNR2 (0.46) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL965517 0.93 CNR2 (0.46) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL962311 0.86 CNR2 (0.53) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL962313 0.86 CNR2 (0.53) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961901 0.84 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961900 0.84 CNR2 (0.49) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961185 0.83 CNR2 (0.50) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL961187 0.83 CNR2 (0.50) CNR2CNR1KCNQ3KCNQ2ALDH1A1
SCHEMBL1613913 0.83 CNR2 (0.53) CNR2CNR1ALDH1A1TSHRHSD11B1

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 CNR2 2/4885CNR1 1/4885KCNQ3 1246/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885KCNQ3 1246/4885
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 CNR2 5/4885CNR1 10/4885KCNQ3 1366/4885

“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.