SCHEMBL14033840

SCHEMBL14033840

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 4/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
GPR183 P32249 3/20 0.44
NPSR1 Q6W5P4 2/20 0.42
TACR3 P29371 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5124973 1.00 RAB9A (0.54) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5116128 0.86 RAB9A (0.54) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5129892 0.84 GPR183 (0.46) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5125782 0.83 GPR183 (0.42) RAB9AMAPTHPGDLMNAHTT
SCHEMBL5120896 0.82 GPR183 (0.42) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5130740 0.82 MAPT (0.46) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5125609 0.82 GPR183 (0.41) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5130505 0.81 MAPT (0.39) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5129547 0.81 NPC1 (0.57) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL5124308 0.81 ACHE (0.59)

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 5 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 disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
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
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 RAB9A 2540/4885NPC1 785/4885MAPT 161/4885

“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.