SCHEMBL176076

SCHEMBL176076

C=CC(N)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 8/20 0.34
SHBG P04278 1/20 0.33
DPP7 Q9UHL4 2/20 0.32

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
Hydrochloric Acid SCHEMBL4409590 0.97 KDM4E (0.38) EPHX1TP53KDM4EGMNNLMNA
Hydrochloric Acid SCHEMBL4416986 0.97 KDM4E (0.38) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL9387320 0.97
SCHEMBL538846 0.92
SCHEMBL7166980 0.86
SCHEMBL8926767 0.86
Hydrochloric Acid SCHEMBL2773491 0.83
SCHEMBL9887567 0.77 EPHX1 (0.33) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL7859411 0.75
SCHEMBL4019377 0.75 DPP4 (0.33) DPP4

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 1125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105899494-B The Gd coordination compound of the conjugate of tranexamic acid containing DO3A- 韩国庆北国立大学产业学术合作基金会 2018-06-15 CN claimed
US-20170027885-A1 1-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF COCHLEAR TINNITUS MERZ PHARMA GMBH & CO. KGAA (DE) 2017-02-02 US claimed
US-9498450-B2 1-aminocyclohexane derivatives for the treatment of cochlear tinnitus MERZ PHARMA GMBH & CO. KGAA (DE) 2016-11-22 US claimed
US-9468610-B2 1-aminocyclohexane derivatives for the treatment of hearing loss MERZ PHARMA GMBH & CO. KGAA (DE) 2016-10-18 US claimed
US-8877814-B2 Titration package for neramexane and its use in the treatment of an inner ear disorder MERZ PHARMA GMBH & CO. KGAA (DE) 2014-11-04 US claimed
US-20140228440-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY SKIN DISEASES MERZ PHARMA GMBH & CO. KGAA (DE) 2014-08-14 US claimed
EP-2373304-B1 Neramexane for the treatment of mast cell mediated diseases MERZ PHARMA GMBH & CO KGAA (DE) 2014-07-30 EP claimed
US-8680149-B2 1-amino-alkylcyclohexane derivatives for the treatment of mast cell mediated diseases MERZ PHARMA GMBH & CO. KGAA (DE) 2014-03-25 US claimed
US-20130158124-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF MAST CELL MEDIATED DISEASES MERZ PHARMA GMBH & CO. KGAA (DE) 2013-06-20 US claimed
US-20130150449-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY SKIN DISEASES MERZ PHARMA GMBH & CO. KGAA (DE) 2013-06-13 US claimed
EP-1228052-A1 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS Merz Pharmaceuticals GmbH (DE) 2002-08-07 EP claimed
WO-2002024186-A1 1-AMINO-ALKYLCYCLOHEXANES AS TRYPANOCIDAL AGENTS MERZ PHARMA GMBH & CO. KGAA (DE) 2002-03-28 WO claimed
WO-2001098253-A2 1-AMINO-ALKYLCYCLOHEXANES AS 5-HT3 AND NEURONAL NICOTINICRECEPTOR ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2001-12-27 WO claimed
WO-2001032640-A1 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS MERZ PHARMACEUTICALS GMBH (DE) 2001-05-10 WO claimed
CN-1266423-A 1-amino-alkylcyclohexane NMDA receptor antagonists MERZ & CO GMBH & CO (DE) 2000-09-13 CN claimed
EP-1009732-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GmbH & Co. (DE) 2000-06-21 EP claimed
US-6071966-A ADMINISTERING TO LIVING ANIMAL 1-AMINOALKYLCYCLOHEXANE COMPOUND FOR ALLEVIATION OF CONDITION WHICH IS ALLEVIATED BY N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST, OR FOR ITS IMMUNOMODULATORY, ANTIMALARIAL, ANTI-BORNA VIRUS EFFECTS MERZ + CO. GMBH & CO. (DE) 2000-06-06 US claimed
US-6034134-A 1-Amino-alkylcyclohexane NMDA receptor antagonists MERZ + CO. GMBH & CO. (DE) 2000-03-07 US claimed
EP-0557046-B1 Polymeric film DU PONT (US) 1999-12-01 EP claimed
WO-1999001416-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GMBH & CO. (DE) 1999-01-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130150449-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY SKIN DISEASES NFKBIA, AADAC, LTA EPHX1 1781/4885TP53 2249/4885KDM4E 2291/4885
US-20170027885-A1 1-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF COCHLEAR TINNITUS OTC, CNR2, CNR1 EPHX1 3075/4885TP53 3642/4885KDM4E 3297/4885
US-20140228440-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY SKIN DISEASES NFKBIA, AADAC, LTA EPHX1 1781/4885TP53 2249/4885KDM4E 2291/4885
US-20130158124-A1 1-AMINO-ALKYLCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF MAST CELL MEDIATED DISEASES CPA3, CMA1, MRGPRX1 EPHX1 713/4885TP53 2528/4885KDM4E 1123/4885

“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.