SCHEMBL962770

SCHEMBL962770

Cc1sc(=N)n(CCN2CCOCC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KEAP1 Q14145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
Hydrochloric Acid SCHEMBL5050855 0.98 LMNA (0.40) LMNAUSP2GAATSHRKEAP1
SCHEMBL15233470 0.72 LMNA (0.45) LMNAGAAKEAP1SMN1; SMN2KDM4E
SCHEMBL961938 0.69 F12 (0.50) LMNATSHR
SCHEMBL3386924 0.69 LMNA (0.42) LMNAUSP2GAASMN1; SMN2KDM4E
SCHEMBL235080 0.66 KDM4E (0.65) USP2TSHRKEAP1SMN1; SMN2KDM4E
SCHEMBL12854921 0.64 LMNA (0.39) LMNAUSP2GAAKEAP1SMN1; SMN2
SCHEMBL11856358 0.63 KDM4E (0.70) USP2TSHRKEAP1SMN1; SMN2KDM4E
SCHEMBL10913328 0.63 KDM4E (0.70) USP2TSHRKEAP1SMN1; SMN2KDM4E
SCHEMBL12854855 0.63 LMNA (0.38) LMNAGAAKEAP1SMN1; SMN2
SCHEMBL13498366 0.63 LMNA (0.38) LMNAGAAALDH1A1

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 LMNA 3363/4885USP2 3040/4885GAA 3651/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 LMNA 3363/4885USP2 3040/4885GAA 3651/4885
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 LMNA 1664/4885USP2 3258/4885GAA 2510/4885

“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.