SCHEMBL961718

SCHEMBL961718

COCCn1c(=N)sc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F12 P00748 1/20 0.35
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
PTGER4 P35408 1/20 0.33
MAPK14 Q16539 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33

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
SCHEMBL967835 0.89 NPSR1 (0.53) NPSR1GRIN1GRIN2BALDH1A1MAPT
Bromide SCHEMBL3387300 0.87 NPSR1 (0.52) NPSR1GRIN1GRIN2BALDH1A1MAPT
SCHEMBL5044103 0.82 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTSMN1; SMN2F12
Bromide SCHEMBL965108 0.81 ALDH1A1 (0.37) NPSR1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3386303 0.79 F12 (0.54) ALDH1A1SMN1; SMN2F12TSHRGAA
Bromide SCHEMBL964193 0.78 F12 (0.53) ALDH1A1SMN1; SMN2F12TSHRGAA
Bromide SCHEMBL964455 0.71 F12 (0.51) ALDH1A1SMN1; SMN2F12TSHRGAA
SCHEMBL5050831 0.70 KDM4E (0.53) NPSR1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL5049719 0.68 CA12 (0.43) NPSR1GRIN1GRIN2BALDH1A1MAPT
SCHEMBL16948321 0.67 RAB9A (0.54) ALDH1A1SMN1; SMN2TSHRGAATP53

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 NPSR1 8/4885GRIN1 408/4885GRIN2B 340/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 8/4885GRIN1 408/4885GRIN2B 340/4885
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 NPSR1 183/4885GRIN1 32/4885GRIN2B 69/4885

“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.