SCHEMBL5121005

SCHEMBL5121005

CSc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPY5R Q15761 2/20 0.41
LMNA P02545 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5117764 0.93 FAAH (0.43) FAAHKMT2ATSHRCYP2C19LMNA
SCHEMBL5117071 0.92 NPY5R (0.43) FAAHKMT2ANPY5RLMNAMEN1
SCHEMBL5115751 0.90 FAAH (0.42) FAAHKMT2ATSHRCYP2C19NPY5R
SCHEMBL5125248 0.90 NPY5R (0.45) FAAHNPY5R
SCHEMBL5124310 0.89 LMNA (0.56) FAAHKMT2ANPY5RLMNAMEN1
SCHEMBL5129993 0.87 FAAH (0.48) FAAHKMT2ATSHRCYP2C19LMNA
SCHEMBL5129619 0.85 TRPV1 (0.48) KMT2AMEN1
SCHEMBL5124880 0.85 FAAH (0.49) FAAHNPY5RKDM4E
SCHEMBL5129812 0.85 LMNA (0.45) KMT2ATSHRCYP2C19NPY5RLMNA
SCHEMBL5124292 0.85 FAAH (0.48) FAAHKMT2ANPY5RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI FAAH 2115/4885KMT2A 4006/4885TSHR 3033/4885

“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.