SCHEMBL3886988

SCHEMBL3886988

CCCCCn1cc(CCN)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.64
CDC25A P30304 1/20 0.61
HTR2A P28223 1/20 0.60
CNR2 P34972 8/20 0.51
DNM2 P50570 4/20 0.51
CNR1 P21554 3/20 0.50

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
SCHEMBL22411431 0.99 ICMT (0.66) ICMTCDC25AHTR2ACNR2DNM2
SCHEMBL27041029 0.95 HTR2A (0.62) ICMTCDC25AHTR2ACNR2DNM2
SCHEMBL10967590 0.89 CDC25A (0.66) ICMTCDC25ACNR2DNM2CNR1
SCHEMBL7749067 0.89 HTR2A (0.66) ICMTCDC25AHTR2ACNR2CNR1
SCHEMBL13131369 0.84 CDC25A (0.72) ICMTCDC25ACNR2DNM2CNR1
SCHEMBL8126918 0.84 CDC25A (0.64) ICMTCDC25ACNR2DNM2CNR1
SCHEMBL5462804 0.83 CDC25A (0.70) ICMTCDC25ACNR2DNM2CNR1
SCHEMBL4535061 0.83 HTR2A (0.65) HTR2A
SCHEMBL17943470 0.83 CDC25A (0.57) ICMTCDC25AHTR2ACNR2DNM2
SCHEMBL8143904 0.81 CDC25A (0.74) ICMTCDC25ACNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141310-A1 HUMAN GUT MICROBIOME-DERIVED BIOSYNTHETIC ENZYMES FOR PRODUCTION OF FATTY ACID AMIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-11 US disclosed
US-20200299738-A1 HUMAN GUT MICROBIOME-DERIVED BIOSYNTHETIC ENZYMES FOR PRODUCTION OF FATTY ACID AMIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-24 US disclosed
WO-2020185627-A1 HUMAN GUT MICROBIOME-DERIVED BIOSYNTHETIC ENZYMES FOR PRODUCTION OF FATTY ACID AMIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-17 WO disclosed
CN-103304467-A Method for preparing N-coffee acyl tryptamine by one-step process SUZHOU UUGENE BIOPHARMA CO LTD 2013-09-18 CN disclosed
CN-103304467-A Method for preparing N-coffee acyl tryptamine by one-step process SUZHOU UUGENE BIOPHARMA CO LTD 2013-09-18 CN disclosed
US-7517895-B2 Synthetic diazonamides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-04-14 US disclosed
EP-1904443-A1 NEW BENZOHETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-04-02 EP disclosed
WO-2007006734-A1 NEW BENZOHETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-01-18 WO disclosed
US-20060089397-A1 Synthetic diazonamides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-04-27 US disclosed
US-7022720-B2 Synthetic diazonamides as novel anti-mitotic agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-04-04 US disclosed
US-20030100589-A1 Synthetic diazonamides as novel anti-mitotic agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-05-29 US disclosed
CN-1365971-A Antibacterial activity, induction, separation and synthesis of N-acyltryptamine derivative as plant protecting chemical CHINESE AGRICULTRAL UNIV (CN) 2002-08-28 CN 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-20060089397-A1 Synthetic diazonamides BUB1B, BUB1, CDK15 ICMT 2816/4885CDC25A 6/4885HTR2A 3427/4885
US-20030100589-A1 Synthetic diazonamides as novel anti-mitotic agents BUB1B, BUB1, BUB3 ICMT 2869/4885CDC25A 10/4885HTR2A 3767/4885

“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.