SCHEMBL962745

SCHEMBL962745

CS(=O)(=O)OCCn1ccsc1=NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 3/20 0.32
JAK2 O60674 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 7/20 0.31
CYP3A4 P08684 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.30
KCNQ3 O43525 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
SCHEMBL962743 1.00 CNR2 (0.40) CNR2CNR1LMNAGAANPC1
SCHEMBL961083 0.87 HSD11B1 (0.43) CNR2CNR1LMNAGAANPC1
SCHEMBL961081 0.87 HSD11B1 (0.43) CNR2CNR1LMNAGAANPC1
SCHEMBL962546 0.83 CNR2 (0.43) CNR2CNR1LMNAGAANPC1
SCHEMBL962548 0.83 CNR2 (0.43) CNR2CNR1LMNAGAANPC1
SCHEMBL965707 0.82 CNR1 (0.43) CNR2CNR1LMNAGAANPC1
SCHEMBL965709 0.82 CNR1 (0.43) CNR2CNR1LMNAGAANPC1
SCHEMBL964658 0.81 CNR2 (0.53) CNR2CNR1LMNAGAA
SCHEMBL964659 0.81 CNR2 (0.53) CNR2CNR1LMNAGAA
SCHEMBL17007605 0.77 CNR1 (0.40) CNR2CNR1LMNAGAANPC1

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 CNR2 2/4885CNR1 1/4885LMNA 3363/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885LMNA 3363/4885
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 10/4885LMNA 1664/4885

“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.