SCHEMBL5130174

SCHEMBL5130174

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.51
EPHX2 P34913 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPM8 Q7Z2W7 7/20 0.45
GPR142 Q7Z601 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 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
SCHEMBL5121358 0.94 TRPM8 (0.50) EPHX2LMNAMAPTSMN1; SMN2HTT
SCHEMBL5124367 0.92 EPHX2 (0.47) GRIN2BEPHX2LMNAMAPTSMN1; SMN2
SCHEMBL5130374 0.91 LMNA (0.51) GRIN2BEPHX2LMNAMAPTSMN1; SMN2
SCHEMBL5130357 0.90 TRPV1 (0.49) EPHX2LMNAMAPTSMN1; SMN2HTT
SCHEMBL5121795 0.90 CYP2D6 (0.52) SMN1; SMN2USP2CYP1A2CYP2C9
SCHEMBL5130664 0.90 CNR1 (0.53) EPHX2MAPTTRPM8TRPV1
SCHEMBL5125805 0.90 CNR1 (0.53) EPHX2MAPTTRPM8TRPV1
SCHEMBL5125662 0.89 LMNA (0.53) GRIN2BLMNAMAPTMEN1KMT2A
SCHEMBL5117051 0.89 ALDH1A1 (0.49) GRIN2BMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5130504 0.88 GRIN2B (0.51) GRIN2BEPHX2MAPTSMN1; SMN2MEN1

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 GRIN2B 253/4885EPHX2 4251/4885LMNA 875/4885

“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.