SCHEMBL5124253

SCHEMBL5124253

Cc1cccc(NC(=O)N2CCC3(CC2)CC(c2ccc(Cl)cc2)=NO3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
NLRP3 Q96P20 1/20 0.54
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.50
POLB P06746 3/20 0.45
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
APAF1 O14727 1/20 0.45
PABPC1 P11940 1/20 0.45
GRK2 P25098 1/20 0.45
MCL1 Q07820 1/20 0.45
EIF4H Q15056 1/20 0.45
FAAH O00519 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL5115812 0.93 ALDH1A1 (0.54) SMN1; SMN2NLRP3ALDH1A1RAB9AFAAH
SCHEMBL5121321 0.91 NPSR1 (0.54) SMN1; SMN2ALDH1A1RAB9APOLBRECQL
SCHEMBL5120071 0.91 ALDH1A1 (0.54) ALDH1A1RAB9APOLBTDP1APAF1
SCHEMBL5129735 0.90 ALDH1A1 (0.51) SMN1; SMN2NLRP3ALDH1A1RAB9ARECQL
SCHEMBL16175506 0.90 ALDH1A1 (0.51) SMN1; SMN2NLRP3ALDH1A1RAB9APOLB
SCHEMBL5117051 0.89 ALDH1A1 (0.49) SMN1; SMN2NLRP3ALDH1A1RAB9AFAAH
SCHEMBL5117788 0.89 LMNA (0.55) SMN1; SMN2ALDH1A1NPSR1LMNAMAPT
SCHEMBL5128916 0.88 TRPM8 (0.52) SMN1; SMN2ALDH1A1RAB9APOLBTRPM8
SCHEMBL5117044 0.88 TRPM8 (0.52) SMN1; SMN2ALDH1A1RAB9APOLBTRPM8
SCHEMBL5120013 0.88 ALDH1A1 (0.49) ALDH1A1FAAHTRPM8LMNAKDM4E

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 SMN1; SMN2 79/4885NLRP3 167/4885ALDH1A1 511/4885

“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.