SCHEMBL4254639

SCHEMBL4254639

NC=CCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX5 P09917 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL14653055 1.00 SIGMAR1 (0.34) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL880923 0.97
SCHEMBL7166987 0.86
SCHEMBL8926775 0.86
SCHEMBL29860701 0.80 ADH1B (0.36) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL10482355 0.79
SCHEMBL28216071 0.78 ADH1B (0.37) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL4658505 0.78
SCHEMBL5545187 0.77 SIGMAR1 (0.38) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL7264765 0.75 SIGMAR1 (0.41) SIGMAR1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523309-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN TAU Iqbal, Khalid (US) 2005-04-20 EP claimed
WO-2004009062-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN tau IQBAL KHALID (US) 2004-01-29 WO claimed
US-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID (US) 2004-01-29 US claimed
US-20120157537-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID (US) 2012-06-21 US disclosed
US-20120157537-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID (US) 2012-06-21 US disclosed
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID 2009-01-01 US disclosed
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau IQBAL KHALID 2009-01-01 US disclosed
EP-1523309-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN TAU Iqbal, Khalid (US) 2005-04-20 EP disclosed
EP-1523309-A2 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN TAU Iqbal, Khalid (US) 2005-04-20 EP disclosed
EP-1318800-B1 1-AMINO-ALKYLCYCLOHEXANES AS TRYPANOCIDAL AGENTS MERZ PHARMA GMBH & CO KGAA (DE) 2005-01-26 EP disclosed
WO-2004009062-A3 NMDA RECEPTOR ANTAGONISTS AND THEIR USE IN INHIBITING ABNORMAL HYPERPHOSPHORYLATION OF MICROTUBULE ASSOCIATED PROTEIN tau IQBAL KHALID (US) 2004-12-23 WO disclosed
EP-1009732-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GmbH & Co. (DE) 2000-06-21 EP disclosed
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 disclosed
US-6034134-A 1-Amino-alkylcyclohexane NMDA receptor antagonists MERZ + CO. GMBH & CO. (DE) 2000-03-07 US disclosed
WO-1999001416-A2 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS MERZ + CO. GMBH & CO. (DE) 1999-01-14 WO disclosed
US-5336749-A Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-08-09 US disclosed
EP-0394058-B1 ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-25 EP disclosed
US-5210286-A Hydrogenation of corresponding aromatic compound, reaction with phosgene MITSUI TOATSU CHEMICALS, INC. (JP) 1993-05-11 US disclosed
US-5126426-A Catalytic hydrogenation of aromatic diamine MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-06-30 US disclosed
EP-0394058-A1 Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-24 EP 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 (3 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-20120157537-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT SIGMAR1 1142/4885ADH1B 4745/4885ADH1C 4124/4885
US-20090005459-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN1, GRIN2A, MAPT SIGMAR1 1142/4885ADH1B 4745/4885ADH1C 4124/4885
US-20040019118-A1 NMDA receptor antagonists and their use in inhibiting abnormal hyperphosphorylation of microtubule associated protein tau GRIN2A, GRIN1, MAPT SIGMAR1 904/4885ADH1B 4663/4885ADH1C 4193/4885

“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.