SCHEMBL1939655

SCHEMBL1939655

C=CCC1C2CC3CC(C2)CC1(Br)C3

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
STAT6 P42226 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SLC47A1 Q96FL8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL6551864 0.77 SLC22A2 (0.30) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
Hydrochloric Acid SCHEMBL11302602 0.76 LMNA (0.41) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL641692 0.76
SCHEMBL4543539 0.72 THRB (0.37)
SCHEMBL14798101 0.69 THRB (0.32)
SCHEMBL3846377 0.65 GRIN2D (0.35) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL150989 0.63 HSD11B1 (0.39)
SCHEMBL2745866 0.63 SLC22A2 (0.33) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL1939322 0.61
SCHEMBL3418491 0.61 GRIN2D (0.33) SLC22A2SLC22A1GRIN2DGRIN3BLMNA

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-2331495-B1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO KGAA (DE) 2016-01-27 EP claimed
EP-2331495-B1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO KGAA (DE) 2016-01-27 EP disclosed
US-8796491-B2 Process for manufacturing adamantane derivatives with high yield MERZ PHARMA GMBH & CO. KGAA (DE) 2014-08-05 US disclosed
US-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2011-10-27 US disclosed
EP-2331495-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD Merz Pharma GmbH & Co. KGaA (DE) 2011-06-15 EP disclosed
WO-2010015415-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERIVATIVES WITH HIGH YIELD MERZ PHARMA GMBH & CO. KGAA (DE) 2010-02-11 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-20110263900-A1 PROCESS FOR MANUFACTURING ADAMANTANE DERVATIVES WITH HIGH YIELD BACE1, BACE2, APP SLC22A2 4789/4885SLC22A1 4750/4885GRIN2D 1299/4885

“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.