SCHEMBL5125752

SCHEMBL5125752

CC(C)(C)c1ccc(C(/C=C/c2ccccc2)=C/C(=O)N2CCC3(CC2)CC(c2cccc(F)c2)=NO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
GPR183 P32249 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SSTR5 P35346 1/20 0.34

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
SCHEMBL5125755 1.00 CA1 (0.40) CA1CA2ATMSMN1; SMN2HPGD
SCHEMBL5125759 1.00 CA1 (0.40) CA1CA2ATMSMN1; SMN2HPGD
SCHEMBL5012703 0.93 RAB9A (0.41) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A
SCHEMBL5012710 0.93 RAB9A (0.41) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A
SCHEMBL5012708 0.93 RAB9A (0.41) SMN1; SMN2HPGDNPC1ALDH1A1RAB9A
SCHEMBL5130576 0.88 ALDH1A1 (0.49) CA1CA2ATMSMN1; SMN2HPGD
SCHEMBL5130578 0.88 ALDH1A1 (0.49) CA1CA2ATMSMN1; SMN2HPGD
SCHEMBL5116128 0.82 RAB9A (0.54) ATMSMN1; SMN2HPGDNPC1ALDH1A1
SCHEMBL5125677 0.81 CA1 (0.39) CA1CA2MAPTGPR183KDM4E
SCHEMBL5125675 0.81 CA1 (0.39) CA1CA2MAPTGPR183KDM4E

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
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP 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 CA1 2904/4885CA2 2127/4885ATM 4036/4885

“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.