SCHEMBL5130190

SCHEMBL5130190

COc1cccc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
GRIN2B Q13224 1/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
STAT1 P42224 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45

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
SCHEMBL5126596 0.92 SMN1; SMN2 (0.56) SMN1; SMN2GRIN2BHTTNPC1RAB9A
SCHEMBL5129563 0.92 SMN1; SMN2 (0.48) SMN1; SMN2GRIN2BHTTNPC1RAB9A
SCHEMBL5116074 0.90 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPC1RAB9AMAPK1
SCHEMBL5119726 0.90 SMN1; SMN2 (0.59) SMN1; SMN2GRIN2BHTTNPC1RAB9A
SCHEMBL5124433 0.90 SMN1; SMN2 (0.61) SMN1; SMN2HTTNPC1RAB9AMAPK1
SCHEMBL5115865 0.89 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPC1RAB9AMAPK1
SCHEMBL5117480 0.89 CYP1A2 (0.53) SMN1; SMN2MAPK1MAPTALDH1A1TSHR
SCHEMBL5117051 0.88 ALDH1A1 (0.49) SMN1; SMN2GRIN2BRAB9AMAPTHSD17B10
SCHEMBL5012726 0.88 MAPT (0.47) SMN1; SMN2GRIN2BHTTNPC1RAB9A
SCHEMBL5130504 0.88 GRIN2B (0.51) SMN1; SMN2GRIN2BNPC1RAB9AMAPT

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 79/4885GRIN2B 253/4885HTT 50/4885

“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.