SCHEMBL13120725

SCHEMBL13120725

NC(=S)NCCCC(N)C(=O)Oc1cccc(CON(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.35
▸ MTNR1B P49286 3/20 0.35
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ EPOR P19235 1/20 0.33
▸ ANPEP P15144 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
SCHEMBL13120730 0.90 NPY4R (0.37) MTNR1AMTNR1BDPP8DPP7FAAH
SCHEMBL13105635 0.84 TMEM97 (0.38) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL13120727 0.80 ACHE (0.41) LTA4HACHE
SCHEMBL13416874 0.80 MTNR1A (0.37) MTNR1AMTNR1BFAAHACHE
SCHEMBL13416894 0.79 MTNR1A (0.39) MTNR1AMTNR1BFAAHACHE
SCHEMBL13105641 0.74 TMEM97 (0.38) CA12CA1CA2CA9DPP8
SCHEMBL13416281 0.72 ACHE (0.44) DPP8DPP7LTA4HACHEEPOR
SCHEMBL14135115 0.72 ACHE (0.44) DPP8DPP7LTA4HACHEEPOR
SCHEMBL13416630 0.69 LTA4H (0.39) LTA4HACHE
SCHEMBL13417055 0.69 ACHE (0.40) LTA4HACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812039-B2 analgesic drug for treating neuropathic pain is selected from gabapentine, norvaline, pregabaline, (S)3-isobutylGABA, arginine, thiocitrulline, agmantine, vigabatrin etc. and a NO donar drugs belonging to the classes of aspirin, ibuprofen, paracetamol, naproxen, diclofenac or flurbiprofen NICOX S.A. (FR) 2010-10-12 — — US disclosed
US-7696230-B2 Drugs for chronic pains NICOX S.A. (FR) 2010-04-13 — — US disclosed
US-20080113950-A1 Drugs for chronic pains NICOX S.A. 2008-05-15 — — 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-20080113950-A1 Drugs for chronic pains OPRD1, OPRL1, OPRK1 MTNR1A 361/4885MTNR1B 181/4885CA12 1300/4885

“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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