SCHEMBL1591865

SCHEMBL1591865

C[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
HTT P42858 1/20 0.65
CYP2A13 Q16696 1/20 0.57
FUCA1 P04066 2/20 0.55
ACHE P22303 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
AGTR1 P30556 1/20 0.52
AGTR2 P50052 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SLC2A1 P11166 1/20 0.49
MC4R P32245 1/20 0.48

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
SCHEMBL70870 1.00 KDM4E (0.65) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL4510409 1.00 KDM4E (0.65) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL1591329 1.00 KDM4E (0.65) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL2305974 0.87 KDM4E (0.51) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL31024625 0.87 KDM4E (0.51) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL25111516 0.84 KDM4E (0.49) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL12703742 0.84 KDM4E (0.49) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL17128008 0.84 KDM4E (0.49) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL1592053 0.84 KDM4E (0.49) KDM4EHTTCYP2A13FUCA1ACHE
SCHEMBL17128035 0.84 KDM4E (0.49) KDM4EHTTCYP2A13FUCA1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108101860-B Preparation method of cis-2, 6-dimethyl morpholine 苏州敬业医药化工有限公司 2021-11-23 CN claimed
WO-2022184049-A1 PLK4 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2022-09-09 WO disclosed
CN-108101860-B Preparation method of cis-2, 6-dimethyl morpholine 苏州敬业医药化工有限公司 2021-11-23 CN disclosed
CN-108101860-B Preparation method of cis-2, 6-dimethyl morpholine 苏州敬业医药化工有限公司 2021-11-23 CN disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-9278960-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-03-08 US disclosed
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-10-16 US disclosed
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-7208490-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2007-04-24 US disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US 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 (7 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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 KDM4E 1604/4885HTT 1097/4885CYP2A13 3159/4885
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 KDM4E 1604/4885HTT 1097/4885CYP2A13 3159/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 KDM4E 1604/4885HTT 1097/4885CYP2A13 3159/4885
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B KDM4E 1820/4885HTT 522/4885CYP2A13 3314/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 KDM4E 1604/4885HTT 1097/4885CYP2A13 3159/4885
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B KDM4E 1820/4885HTT 522/4885CYP2A13 3314/4885
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIA2, GRIN2B KDM4E 1842/4885HTT 531/4885CYP2A13 3338/4885

“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.