SCHEMBL5117450

SCHEMBL5117450

O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TRPV1 Q8NER1 2/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
NPY5R Q15761 2/20 0.43
LMNA P02545 3/20 0.43
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DGAT1 O75907 1/20 0.42
RBP4 P02753 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5125371 0.92 MEN1 (0.55) MEN1KMT2ATRPV1GAAKDM4E
SCHEMBL5125201 0.91 MEN1 (0.52) MEN1KMT2ATRPV1GAAKDM4E
SCHEMBL5124201 0.91 KMT2A (0.51) MEN1KMT2ATRPV1GAAKDM4E
SCHEMBL5125617 0.91 CYP1A2 (0.44) MEN1KMT2AKDM4ETP53POLB
SCHEMBL5129525 0.89 MEN1 (0.49) MEN1KMT2ATRPV1GAAKDM4E
SCHEMBL5124525 0.89 CSNK1D (0.45) MEN1KMT2ATRPV1KDM4ETP53
SCHEMBL5116150 0.87 TRPV1 (0.45) TRPV1KDM4EMAPTNPY5RLMNA
SCHEMBL5119717 0.87 NPY5R (0.46) TRPV1GAAKDM4ETP53MAPT
SCHEMBL16175711 0.86 ALDH1A1 (0.40) MEN1KMT2AGAATP53POLB
SCHEMBL5129055 0.86 TAAR1 (0.43) MEN1KMT2ATRPV1TP53NPY5R

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 MEN1 1834/4885KMT2A 4006/4885TRPV1 57/4885

“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.