SCHEMBL5124280

SCHEMBL5124280

COc1ccc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
USP2 O75604 4/20 0.55
CYP1A2 P05177 2/20 0.52
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
TRPM8 Q7Z2W7 8/20 0.50
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL5117447 0.92 TRPM8 (0.56) TRPM8EPHX2
SCHEMBL5117480 0.92 CYP1A2 (0.53) CYP3A4USP2CYP1A2TSHRCYP2D6
SCHEMBL5123510 0.90 PDGFRB (0.53) CYP3A4USP2ALDH1A1CYP2C9TRPM8
SCHEMBL5124232 0.90 TRPM8 (0.52) TRPM8MAPTEPHX2
SCHEMBL5125805 0.90 CNR1 (0.53) TRPM8MAPTEPHX2
SCHEMBL5130664 0.90 CNR1 (0.53) TRPM8MAPTEPHX2
SCHEMBL5126596 0.89 SMN1; SMN2 (0.56) CYP3A4USP2TRPM8PRKAB2PRKAG1
SCHEMBL5120023 0.89 TRPM8 (0.52) TRPM8EPHX2
SCHEMBL5129051 0.89 TRPM8 (0.57) TRPM8PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5120022 0.89 CYP1A2 (0.55) CYP3A4USP2CYP1A2TSHRCYP2D6

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 CYP3A4 2391/4885USP2 4861/4885CYP1A2 2142/4885

“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.