SCHEMBL6581854

SCHEMBL6581854

C1CCN([C@H]2CCNC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.72
L3MBTL3 Q96JM7 7/20 0.37
L3MBTL1 Q9Y468 6/20 0.37
KHK P50053 2/20 0.33
MBTD1 Q05BQ5 4/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FYN P06241 1/20 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
SCHEMBL714244 1.00 HTR6 (0.72) HTR6L3MBTL3L3MBTL1KHKMBTD1
SCHEMBL1094767 1.00 HTR6 (0.72) HTR6L3MBTL3L3MBTL1KHKMBTD1
SCHEMBL10265670 1.00 HTR6 (0.72) HTR6L3MBTL3L3MBTL1KHKMBTD1
Hydrochloric Acid SCHEMBL1094729 0.98 HTR6 (0.69) HTR6L3MBTL3L3MBTL1KHKMBTD1
Hydrochloric Acid SCHEMBL1094728 0.98 HTR6 (0.69) HTR6L3MBTL3L3MBTL1KHKMBTD1
Hydrochloric Acid SCHEMBL16633376 0.98 HTR6 (0.69) HTR6L3MBTL3L3MBTL1KHKMBTD1
SCHEMBL238942 0.98 HTR6 (0.75) HTR6L3MBTL3L3MBTL1KHKMBTD1
SCHEMBL223255 0.98 HTR6 (0.75) HTR6L3MBTL3L3MBTL1KHKMBTD1
SCHEMBL1447785 0.98 HTR6 (0.75) HTR6L3MBTL3L3MBTL1KHKMBTD1
Hydrochloric Acid SCHEMBL1814485 0.95 HTR6 (0.72) HTR6L3MBTL3L3MBTL1KHKMBTD1

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
CN-114653318-B Device and method for quickly constructing quinolone compound library 广东工业大学 2024-02-13 CN claimed
CN-114653318-A Device and method for quickly constructing quinolone compound library 广东工业大学 2022-06-24 CN claimed
US-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 US disclosed
CN-114653318-B Device and method for quickly constructing quinolone compound library 广东工业大学 2024-02-13 CN disclosed
CN-114653318-A Device and method for quickly constructing quinolone compound library 广东工业大学 2022-06-24 CN disclosed
US-20190016720-A1 7-OXO-6-(SULFOOXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE CONTAINING COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2019-01-17 US disclosed
US-8829010-B2 Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or CYP3A4 inhibitors PFIZER INC. (US) 2014-09-09 US disclosed
US-8829010-B2 Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or CYP3A4 inhibitors PFIZER INC. (US) 2014-09-09 US disclosed
US-8829010-B2 Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or CYP3A4 inhibitors PFIZER INC. (US) 2014-09-09 US disclosed
EP-2718295-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS Pfizer Inc (US) 2014-04-16 EP disclosed
US-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS HELAL CHRISTOPHER JOHN (US) 2014-03-20 US disclosed
US-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS HELAL CHRISTOPHER JOHN (US) 2014-03-20 US disclosed
US-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS HELAL CHRISTOPHER JOHN (US) 2014-03-20 US disclosed
CN-103596956-A Pyrazolo[3,4-d]pyrimidine compounds and their use as PDE2 inhibitors and/or cyp3A4 inhibitors PFIZER 2014-02-19 CN disclosed
WO-2012168817-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS PFIZER INC. (US) 2012-12-13 WO disclosed
WO-2012168817-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS PFIZER INC. (US) 2012-12-13 WO disclosed
EP-1434774-A1 3-(4-SUBSTITUTED HETEROCYCLYL)-PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2004-07-07 EP disclosed
US-6642232-B2 Antitumor agents SUGEN, INC. 2003-11-04 US disclosed
US-20030130235-A1 3-[4-Substituted heterocyclyl)-pyrrol-2-ylmethylidene]-2- indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-07-10 US disclosed
WO-2003031438-A1 3-[4-(SUBSTITUTED HETEROCYCLYL)-PYRROL-2-YLMETHYLIDENE]-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-04-17 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 (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-20140080806-A1 PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE2 INHIBITORS AND/OR CYP3A4 INHIBITORS PDE12, PDE2A, CYP1A2 HTR6 1044/4885L3MBTL3 4527/4885L3MBTL1 4605/4885
US-20030130235-A1 3-[4-Substituted heterocyclyl)-pyrrol-2-ylmethylidene]-2- indolinone derivatives as kinase inhibitors PDGFRB, PDGFRA, KDR HTR6 540/4885L3MBTL3 4581/4885L3MBTL1 4717/4885
US-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HTR6 4845/4885L3MBTL3 2353/4885L3MBTL1 1876/4885
US-20190016720-A1 7-OXO-6-(SULFOOXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE CONTAINING COMPOUNDS AND THEIR USE IN TREATING BACTERIAL INFECTIONS DDO, SPOUT1, SULT1E1 HTR6 1736/4885L3MBTL3 3130/4885L3MBTL1 2881/4885

“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.