SCHEMBL5011048

SCHEMBL5011048

c1ccc(CCC2=NOC3(CCNCC3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
OPRD1 P41143 1/20 0.36
HTR2C P28335 1/20 0.36
GBA1 P04062 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TACR1 P25103 1/20 0.35
OPRM1 P35372 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.34
CYP2D6 P10635 2/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL5012793 0.87 SORT1 (0.40) TSHRMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL14168752 0.73 ITGB1 (0.40) ALDH1A1MAOAMAOBNISCHITGB1
SCHEMBL1640928 0.73 RAB9A (0.44) MEN1ALDH1A1KMT2A
SCHEMBL20761566 0.73 CRBN (0.33)
SCHEMBL5015653 0.72 CHRNB4 (0.52) TSHRALDH1A1OPRD1SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL3221936 0.71 CHRNB4 (0.51) TSHRALDH1A1OPRD1SIGMAR1OPRM1
Ammonia Solution, Strong SCHEMBL5129561 0.71 CHRNB4 (0.51) TSHRALDH1A1OPRD1SIGMAR1OPRM1
SCHEMBL5126954 0.71 OPRD1 (0.48) TSHROPRD1TACR1ATM
5-Methyl-3-Phenethyl-5-Phenyl-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2921112 0.70 ITGB1 (0.38) MEN1KMT2ASIGMAR1OPRM1ITGB1
SCHEMBL13503873 0.70 ACHE (0.33) CYP2C9CYP2C19KMT2ASIGMAR1OPRM1

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 10 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
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-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US 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
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
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 TSHR 3033/4885MEN1 1834/4885ALDH1A1 511/4885

“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.