SCHEMBL5015649

SCHEMBL5015649

c1ccc(C2=NOC3(CCCNCC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
MAPT P10636 1/20 0.42
NLRP3 Q96P20 1/20 0.37
CYP2C9 P11712 7/20 0.36
KCNH2 Q12809 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
RECQL P46063 1/20 0.36
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
DRD2 P14416 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL5126795 0.99 CHRNB4 (0.53) CHRNB4CHRNA3MAPTNLRP3CYP2C9
SCHEMBL5015653 0.94 CHRNB4 (0.52) CHRNB4CHRNA3MAPTNLRP3KCNH2
Ammonia Solution, Strong SCHEMBL5129561 0.92 CHRNB4 (0.51) CHRNB4CHRNA3MAPTNLRP3KCNH2
Hydrochloric Acid SCHEMBL3221936 0.92 CHRNB4 (0.51) CHRNB4CHRNA3MAPTNLRP3KCNH2
SCHEMBL895210 0.88 CHRNB4 (0.54) CHRNB4CHRNA3MAPTNLRP3CYP2C9
SCHEMBL5012160 0.85 CHRNB4 (0.50) CHRNB4CHRNA3MAPTNLRP3RECQL
SCHEMBL3089912 0.80 TDP1 (0.40) CHRNB4CHRNA3MAPTCYP2C9
SCHEMBL15855895 0.79 MAPT (0.51) CHRNB4CHRNA3MAPTRECQLDRD2
SCHEMBL14702502 0.79 NLRP3 (0.44) CHRNB4CHRNA3MAPTNLRP3KCNH2
Hydrochloric Acid SCHEMBL5015691 0.78 MAPT (0.50) CHRNB4CHRNA3MAPTRECQLDRD2

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 5 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 disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO 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 CHRNB4 719/4885CHRNA3 764/4885MAPT 161/4885

“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.