SCHEMBL5129935

SCHEMBL5129935

COc1cccc(C2=NOC3(CCN(C(=O)C=Cc4ccc(S(F)(F)(F)(F)F)cc4)CC3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.44
TP53 P04637 1/20 0.41
ACHE P22303 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL5120073 0.87 NPC1 (0.48) GPR183TP53ACHEALDH1A1NPC1
SCHEMBL5125667 0.86 ALDH1A1 (0.44) TP53ALDH1A1NPC1RAB9AHTT
SCHEMBL5012255 0.84 ALDH1A1 (0.46) GPR183TP53ACHEALDH1A1NPC1
SCHEMBL5012253 0.84 ALDH1A1 (0.46) GPR183TP53ACHEALDH1A1NPC1
SCHEMBL5014516 0.84 GPR183 (0.42) GPR183TP53ACHEALDH1A1NPC1
SCHEMBL5130500 0.84 GPR183 (0.42) GPR183TP53ACHEALDH1A1NPC1
SCHEMBL5130774 0.83 NPC1 (0.41) GPR183TP53ACHEALDH1A1NPC1
SCHEMBL5012273 0.81 GPR183 (0.43) GPR183ACHEALDH1A1NPC1RAB9A
SCHEMBL5118466 0.81 GPR183 (0.43) GPR183ACHEALDH1A1NPC1RAB9A
SCHEMBL5015770 0.80 TP53 (0.40) TP53ALDH1A1NPC1RAB9AHTT

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 3 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

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 GPR183 1976/4885TP53 4483/4885ACHE 21/4885

“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.