SCHEMBL4129569

SCHEMBL4129569

C1CNCC2CCCN2C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.72
HTR2B P41595 10/20 0.35
HTR2C P28335 10/20 0.35
HTR2A P28223 3/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
SLC6A1 P30531 1/20 0.31
SLC6A11 P48066 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
TSHR P16473 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
SCHEMBL3289269 0.93 HTR6 (0.83) HTR6HTR2BHTR2CHTR2A
SCHEMBL25687891 0.91 HTR6 (0.80) HTR6HTR2BHTR2CHTR2A
SCHEMBL336731 0.91
SCHEMBL13835419 0.91
SCHEMBL10758546 0.91
SCHEMBL2328636 0.91 HTR6 (0.79) HTR6HTR2BKDM4EHTR3EHTR3B
SCHEMBL271886 0.91
SCHEMBL20744481 0.91 HTR6 (0.72) HTR6HTR2BHTR2CHTR2AKDM4E
SCHEMBL20744604 0.91 HTR6 (0.79) HTR6HTR2BKDM4EHTR3EHTR3B
SCHEMBL12730878 0.91 HTR6 (0.72) HTR6HTR2BHTR2CHTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931727-A1 DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN Abbvie Inc. (US) 2015-10-21 EP claimed
WO-2014093337-A1 DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN ABBVIE, INC. (US) 2014-06-19 WO claimed
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 EP disclosed
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2023-02-21 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
US-20220213111-A1 SUBSTITUTED HETEROCYCLES AS CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2022-07-07 US disclosed
US-11306098-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2022-04-19 US disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-20210015829-A1 CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2021-01-21 US disclosed
US-6346651-B1 OXIDATION OF BETA-ISOPHORONE WITH CATALYST, SEPARATION FROM SOLVENT, CIRCULATION AND PURIFICATION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-12 US disclosed
US-20020007098-A1 Oxidation catalyst and oxidation process using the same DAICEL CHEMICAL INDUSTRIES, LTD. 2002-01-17 US disclosed
EP-1116707-A1 Process and apparatus for producing ketoisophorone Daicel Chemical Industries, Ltd. (JP) 2001-07-18 EP disclosed
US-6255509-B1 Oxidation catalyst and oxidation process using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-03 US disclosed
EP-1067107-A1 PROCESS FOR THE PRODUCTION OF KETOISOPHORONE DERIVATIVES AND EQUIPMENT THEREFOR Daicel Chemical Industries, Ltd. (JP) 2001-01-10 EP disclosed
US-6166261-A Oxidation catalytic system and process for producing ketoisophorone using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-0962440-A1 Oxidation catalytic system and process for producing ketoisophorone using the same Daicel Chemical Industries, Ltd. (JP) 1999-12-08 EP disclosed
EP-0962252-A2 Manganese complex oxidation catalyst and use thereof Daicel Chemical Industries, Ltd. (JP) 1999-12-08 EP disclosed
US-4093630-A ANTIHISTAMINES HOKURIKU PHARMACEUTICAL CO., LTD. (JA) 1978-06-06 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-20220213111-A1 SUBSTITUTED HETEROCYCLES AS CYCLIC TREX1 INHIBITORS TMX1, TREH, TSNAX HTR6 3642/4885HTR2B 2855/4885HTR2C 4012/4885
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 HTR6 1827/4885HTR2B 1418/4885HTR2C 1719/4885
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B HTR6 2692/4885HTR2B 2553/4885HTR2C 3493/4885
US-11306098-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 HTR6 1744/4885HTR2B 1340/4885HTR2C 1507/4885
US-20210015829-A1 CYCLIC TREX1 INHIBITORS TMX1, TSNAX, TPX2 HTR6 2881/4885HTR2B 2222/4885HTR2C 3546/4885
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 HTR6 2810/4885HTR2B 4295/4885HTR2C 3977/4885
US-20020007098-A1 Oxidation catalyst and oxidation process using the same CYP11B2, HSD17B7, CYP11B1 HTR6 2199/4885HTR2B 2486/4885HTR2C 953/4885

“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.