SCHEMBL1189622

SCHEMBL1189622

CC(C)C1CN(Cc2ccccc2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
LTA4H P09960 1/20 0.49
TACR1 P25103 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MC4R P32245 1/20 0.44
GRM2 Q14416 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL310284 1.00 SIGMAR1 (0.51) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL14085915 1.00 SIGMAR1 (0.51) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL10675682 0.88 SIGMAR1 (0.49) SIGMAR1LTA4HTACR1KDM4EMEN1
Hydrochloric Acid SCHEMBL11446780 0.88 SIGMAR1 (0.49) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL29289212 0.88 SIGMAR1 (0.49) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL5201106 0.87 SIGMAR1 (0.47) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL6335455 0.87 TACR1 (0.55) SIGMAR1LTA4HTACR1KDM4EACHE
SCHEMBL6335458 0.87 TACR1 (0.55) SIGMAR1LTA4HTACR1KDM4EACHE
SCHEMBL16026440 0.86 SIGMAR1 (0.46) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL3494925 0.86 SIGMAR1 (0.46) SIGMAR1LTA4HTACR1KDM4EMEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
CN-102060809-B Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2015-05-20 CN disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
CN-101638423-B Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES INST CO LTD OF CHANGZHOU HIGH TECH IND DEV ZONE 2012-09-05 CN disclosed
CN-102060809-A Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2011-05-18 CN disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
CN-101638423-A Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES I CO LTD 2010-02-03 CN disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 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 (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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 SIGMAR1 74/4885LTA4H 2843/4885TACR1 94/4885
US-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 SIGMAR1 1018/4885LTA4H 1466/4885TACR1 898/4885
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS SIGMAR1 2945/4885LTA4H 1220/4885TACR1 1243/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 SIGMAR1 1018/4885LTA4H 1466/4885TACR1 898/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 SIGMAR1 1138/4885LTA4H 1769/4885TACR1 1899/4885

“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.