SCHEMBL3815697

SCHEMBL3815697

CCCC(CCC)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A3 Q01959 2/20 0.41
SIGMAR1 Q99720 2/20 0.37
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA2D1 P54289 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRD1 P41143 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 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
SCHEMBL21574389 0.92 SIGMAR1 (0.43) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL23956553 0.91 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL27883571 0.90 SIGMAR1 (0.36) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL14976680 0.87 SIGMAR1 (0.37) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL4308594 0.86 SIGMAR1 (0.45) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL25014145 0.85 GNAI3 (0.34) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL369682 0.85 GNAO1 (0.43) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL21581280 0.83 GNAO1 (0.46) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL21581261 0.83 GNAO1 (0.46) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3
SCHEMBL22702328 0.83 GNAO1 (0.42) SLC6A4SLC6A2SLC6A3SIGMAR1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196930-A2 NICOTINAMIDE- AND BENZAMIDE-BASED COMPOUNDS, CONJUGATES, AND COMPOSITIONS AS INHIBITORS OF TRANSLATIONAL- AND TRANSCRIPTIONAL-RELATED KINASES PURDUE RESEARCH FOUNDATION (US) 2023-10-12 WO disclosed
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound TOKYO OHKA KOGYO CO., LTD. (JP) 2023-08-08 US disclosed
EP-4194452-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG Shanghai Zheye Biotechnology Co., Ltd. (CN) 2023-06-14 EP disclosed
US-11142629-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2021-10-12 US disclosed
US-20200283567-A1 COMPOUND, EPOXY CURING CATALYST AND METHOD FOR PRODUCING COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2020-09-10 US disclosed
US-20190300674-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2019-10-03 US disclosed
WO-2016157074-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-06 WO disclosed
US-7524587-B2 Non-aqueous electrolyte and secondary battery containing same PANASONIC CORPORATION (JP) 2009-04-28 US disclosed
US-20070275305-A1 Non-aqueous electrolyte and secondary battery containing same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2007-11-29 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 (2 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-20200283567-A1 COMPOUND, EPOXY CURING CATALYST AND METHOD FOR PRODUCING COMPOUND MSMO1, RIOK1, ME1 SLC6A4 4776/4885SLC6A2 4686/4885SLC6A3 4849/4885
US-11718587-B2 Compound, epoxy curing catalyst and method for producing compound MSMO1, RIOK1, ME1 SLC6A4 4776/4885SLC6A2 4686/4885SLC6A3 4849/4885

“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.