SCHEMBL5049714

SCHEMBL5049714

COCCN1C=C(Cc2cccc(F)c2)SC1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ MAOB P27338 7/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAOA P21397 5/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ IDH1 O75874 1/20 0.34

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
SCHEMBL5047399 0.87 KDM4E (0.37) TDP1GPBAR1L3MBTL1
SCHEMBL3918304 0.72 ALDH1A1 (0.36) RECQLTDP1KMT2AL3MBTL1MEN1
SCHEMBL5047349 0.71 ALDH1A1 (0.34) RECQLKMT2AL3MBTL1MEN1
SCHEMBL5044110 0.70 ALDH1A1 (0.39) RECQLKMT2AL3MBTL1MEN1
SCHEMBL5047390 0.66 ALDH1A1 (0.40) RECQLTDP1NR3C2KMT2AL3MBTL1
SCHEMBL24965971 0.64 TAAR1 (0.57) MAOB
SCHEMBL14608016 0.62 TAAR1 (0.53) MAOB
SCHEMBL18662305 0.62 MC4R (0.50) RECQLTDP1MAOBKMT2AL3MBTL1
SCHEMBL17262912 0.62 MC4R (0.50) RECQLTDP1MAOBKMT2AL3MBTL1
SCHEMBL5044112 0.61 KDM4E (0.35) TDP1

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 2 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-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 (1 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-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 RECQL 1364/4885TDP1 320/4885GPBAR1 900/4885

“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.

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