SCHEMBL5014516

SCHEMBL5014516

COc1cccc(C2=NOC3(CCN(C(=O)/C=C/c4ccc(C(F)(F)F)nc4)CC3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.42
GPBAR1 Q8TDU6 4/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL5130500 1.00 GPR183 (0.42) GPR183GPBAR1NPC1ALDH1A1HTT
SCHEMBL5130774 0.93 NPC1 (0.41) GPR183NPC1ALDH1A1HTTRAB9A
SCHEMBL5120073 0.84 NPC1 (0.48) GPR183NPC1ALDH1A1HTTRAB9A
SCHEMBL5129935 0.84 GPR183 (0.44) GPR183NPC1ALDH1A1HTTRAB9A
SCHEMBL5130505 0.81 MAPT (0.39) GPR183NPC1ALDH1A1RAB9AKDM4E
SCHEMBL5012286 0.81 TRPV1 (0.44) NPC1ALDH1A1HTTRAB9ACYP1A2
SCHEMBL5129267 0.81 TRPV1 (0.44) NPC1ALDH1A1HTTRAB9ACYP1A2
SCHEMBL5012253 0.80 ALDH1A1 (0.46) GPR183NPC1ALDH1A1HTTRAB9A
SCHEMBL5012255 0.80 ALDH1A1 (0.46) GPR183NPC1ALDH1A1HTTRAB9A
SCHEMBL5125667 0.80 ALDH1A1 (0.44) NPC1ALDH1A1HTTRAB9ACYP1A2

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 6 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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP 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 GPR183 1976/4885GPBAR1 1240/4885NPC1 785/4885

“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.