SCHEMBL5124334

SCHEMBL5124334

COc1cccc(C2=NOC3(CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
GRIN2B Q13224 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK10 P53779 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
PDGFRB P09619 1/20 0.47
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5123510 0.92 PDGFRB (0.53) LMNASMN1; SMN2HSD17B10HTTMAPK1
SCHEMBL5126596 0.91 SMN1; SMN2 (0.56) LMNAMAPTGRIN2BSMN1; SMN2HSD17B10
SCHEMBL5124433 0.91 SMN1; SMN2 (0.61) LMNAMAPTSMN1; SMN2HSD17B10HTT
SCHEMBL5128862 0.90 LMNA (0.51) LMNAMAPTKDM4EGAACYP3A4
SCHEMBL5130374 0.89 LMNA (0.51) LMNAMAPTGRIN2BSMN1; SMN2HTT
SCHEMBL5121555 0.89 CYP1A2 (0.57) SMN1; SMN2HSD17B10HTTNPC1RAB9A
SCHEMBL5121286 0.88 SMN1; SMN2 (0.55) LMNAMAPTGRIN2BSMN1; SMN2HTT
SCHEMBL5012201 0.88 MAPT (0.43) LMNAMAPTGRIN2BSMN1; SMN2HTT
SCHEMBL5116111 0.88 SMN1; SMN2 (0.55) LMNAMAPTSMN1; SMN2HSD17B10HTT
SCHEMBL5119726 0.87 SMN1; SMN2 (0.59) LMNAMAPTGRIN2BSMN1; SMN2HTT

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 LMNA 875/4885MAPT 161/4885GRIN2B 253/4885

“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.