SCHEMBL348936

SCHEMBL348936

O=[C]CCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.61
CYP3A4 P08684 2/20 0.61
HTR2C P28335 2/20 0.61
HTR6 P50406 2/20 0.61
CYP1A2 P05177 2/20 0.61
MPO P05164 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2A6 P11509 1/20 0.61
NFKB1 P19838 1/20 0.61
HTR1D P28221 1/20 0.61
HTR1B P28222 1/20 0.61
HTR7 P34969 1/20 0.61
CTSK P43235 1/20 0.61
CYP2A13 Q16696 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
PMP22 Q01453 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
AHR P35869 1/20 0.58

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
SCHEMBL349109 0.90 SLC6A4 (0.58) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL4985934 0.82 HTR2A (0.77) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL31421736 0.82 HTR2A (0.61) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL8999077 0.82 HTR2A (0.61) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL347688 0.81 MEN1 (0.62) HTR2ACYP3A4HTR2CHTR6CYP1A2
Tryptamine SCHEMBL27810114 0.81 HTR2A (0.86) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL5513682 0.79 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL6805445 0.79 HTR2A (0.57) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL7005718 0.79 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6CYP1A2
SCHEMBL7004146 0.79 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
CN-108350034-B Antimicrobial polymyxin derived compounds 莫纳什大学 2022-03-11 CN claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
CN-101845091-A Metastin derivative and use thereof TAKEDA PHARMACEUTICAL 2010-09-29 CN claimed
EP-0410989-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY, INC. (US) 1991-02-06 EP claimed
US-4935492-A Cyclic analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY INC. (US) 1990-06-19 US claimed
WO-1989009611-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-10-19 WO claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0323740-A2 Linear analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY, INC. (US) 1989-07-12 EP claimed
WO-1989005654-A1 LINEAR ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-06-29 WO claimed
US-4804650-A DIURETICS, VASODILATORS BIOTECHNOLOGY RESEARCH ASSOCIATES, J.V. (US) 1989-02-14 US claimed
EP-0223143-A2 Analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY, INC. (US) 1987-05-27 EP claimed
WO-1987002674-A1 ANALOGS OF ATRIAL NATRIURETIC PEPTIDES BIOTECHNOLOGY RESEARCH ASSOCIATES, J.V. (US) 1987-05-07 WO claimed

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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD HTR2A 4410/4885CYP3A4 4465/4885HTR2C 4794/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD HTR2A 4410/4885CYP3A4 4465/4885HTR2C 4794/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 HTR2A 3852/4885CYP3A4 3635/4885HTR2C 4260/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 HTR2A 3852/4885CYP3A4 3635/4885HTR2C 4260/4885

“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.