Sugi Predict

Sugi Predict / Compounds / SCHEMBL931774

SCHEMBL931774

SCHEMBL931774

CC1(C)CC(C)(C)CC(C)(NC(=O)CCl)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL12152205 0.78 PHF8 (0.45) ALDH1A1LMNA
SCHEMBL6664635 0.77 TDP1 (0.32) GAA
SCHEMBL15844034 0.76 ALDH1A1 (0.35) ALDH1A1LMNAJAK2RAB9ASMN1; SMN2
SCHEMBL19666657 0.76 ALDH1A1 (0.35) ALDH1A1LMNAJAK2RAB9ASMN1; SMN2
SCHEMBL3076284 0.75 — —
SCHEMBL14285815 0.75 SLC22A6 (0.39) ALDH1A1LMNAGAA
SCHEMBL3072573 0.75 APLNR (0.32) —
SCHEMBL852232 0.74 HDAC3 (0.37) ALDH1A1LMNAJAK2RAB9ASMN1; SMN2
SCHEMBL3078413 0.73 ADRA1A (0.31) —
SCHEMBL12152218 0.71 SLC22A16 (0.42) —

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759581-B2 Method of preparing 1-chloroacetamido-1,3,3,5,5-pentamethylcyclohexane MERZ PHARMA GMBH & CO. KGAA (DE) 2014-06-24 — — US claimed
EP-2448908-B1 METHOD OF PREPARING NERAMEXANE MERZ PHARMA GMBH & CO KGAA (DE) 2013-09-18 — — EP claimed
EP-2448910-B1 METHOD OF PREPARING NERAMEXANE MERZ PHARMA GMBH & CO KGAA (DE) 2013-05-15 — — EP claimed
EP-2448909-B1 Method of preparing 1-amino-1,3,3,5,5-pentamethylcyclohexane MERZ PHARMA GMBH & CO KGAA (DE) 2013-05-01 — — EP claimed
US-20120130131-A1 METHOD OF PREPARING 1-AMINO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE MERZ PHARMA GMBH & CO. KGAA (DE) 2012-05-24 — — US claimed
US-20120130127-A1 METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE MER PHARMA GmbH & CO. KGaA (DE) 2012-05-24 — — US claimed
US-20120130130-A1 METHOD OF PREPARING NERAMEXANE MERZ PHARMA GMBH & CO. KGAA (DE) 2012-05-24 — — US claimed
US-20120116125-A1 METHOD OF PREPARING NERAMEXANE MERZ PHARMA GMBH & CO. KGAA (DE) 2012-05-10 — — US claimed
EP-2448908-A1 METHOD OF PREPARING NERAMEXANE Merz Pharma GmbH & Co. KGaA (DE) 2012-05-09 — — EP claimed
EP-2448911-A1 METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE Merz Pharma GmbH & Co. KGaA (DE) 2012-05-09 — — EP claimed
EP-2448909-A1 METHOD OF PREPARING 1-AMINO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE Merz Pharma GmbH & Co. KGaA (DE) 2012-05-09 — — EP claimed
EP-2448910-A1 METHOD OF PREPARING NERAMEXANE Merz Pharma GmbH & Co. KGaA (DE) 2012-05-09 — — EP claimed
WO-2011000538-A1 METHOD OF PREPARING NERAMEXANE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 — — WO claimed
WO-2011000537-A1 METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 — — WO claimed
WO-2011000541-A1 METHOD OF PREPARING 1-AMINO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-06 — — WO claimed
WO-2011000539-A1 METHOD OF PREPARING NERAMEXANE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 — — WO claimed
US-8784847-B2 Synthesis of 1-amino-1,3,3,5,5,-cyclohexane mesylate MERZ PHARMA GMBH & CO. KGAA (DE) 2014-07-22 — — US disclosed
US-8784847-B2 Synthesis of 1-amino-1,3,3,5,5,-cyclohexane mesylate MERZ PHARMA GMBH & CO. KGAA (DE) 2014-07-22 — — US disclosed
US-20090246267-A1 Carnitine Conjugates of Adamantanamines and Neramexane Derivatives as Dual Prodrugs for Various Uses SSV THERAPEUTICS, INC. (US) 2009-10-01 — — US disclosed
WO-2007117544-A2 CARNITINE CONJUGATES OF ADAMANTANAMINES AND NERAMEXANE DERIVATIVES AS DUEL PRODRUGS FOR VARIOUS USES SSV THERAPEUTICS, INC. (US) 2007-10-18 — — 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 (5 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-20090246267-A1 Carnitine Conjugates of Adamantanamines and Neramexane Derivatives as Dual Prodrugs for Various Uses COASY, SLC5A7, CRAT ALDH1A1 247/4885LMNA 1306/4885JAK2 3501/4885
US-20120130127-A1 METHOD OF PREPARING 1-CHLOROACETAMIDO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE HCN1, MTX1, HVCN1 ALDH1A1 313/4885LMNA 1929/4885JAK2 3658/4885
US-20120130131-A1 METHOD OF PREPARING 1-AMINO-1,3,3,5,5-PENTAMETHYLCYCLOHEXANE TPMT, NMUR1, NUDT1 ALDH1A1 391/4885LMNA 3083/4885JAK2 1695/4885
US-20120130130-A1 METHOD OF PREPARING NERAMEXANE DHPS, TOP1, NME1 ALDH1A1 301/4885LMNA 907/4885JAK2 4159/4885
US-20120116125-A1 METHOD OF PREPARING NERAMEXANE NUDT1, NT5C3B, NME1 ALDH1A1 485/4885LMNA 1473/4885JAK2 3151/4885

“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.