SCHEMBL12658484

SCHEMBL12658484

O=C(NCc1ccc(B(O)O)cc1)C1CCCN1C(=O)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.48
HTR2B P41595 3/20 0.48
ALDH1A1 P00352 2/20 0.47
PKM P14618 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DPP4 P27487 1/20 0.46
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
NPC1 O15118 1/20 0.45
F2 P00734 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13263366 1.00 HTR2C (0.48) HTR2CHTR2BALDH1A1PKMCYP3A4
SCHEMBL15386481 1.00 HTR2C (0.48) HTR2CHTR2BALDH1A1PKMCYP3A4
SCHEMBL12344001 0.90 DPP4 (0.45) HTR2CHTR2BALDH1A1PKMCYP3A4
SCHEMBL8535634 0.87 ALDH1A1 (0.59) HTR2CHTR2BALDH1A1PKMCYP3A4
SCHEMBL8393443 0.87 ALDH1A1 (0.59) HTR2CHTR2BALDH1A1PKMCYP3A4
SCHEMBL30179363 0.87 ALDH1A1 (0.59) HTR2CHTR2BALDH1A1PKMCYP3A4
Hydrochloric Acid SCHEMBL9275339 0.86 POLB (0.57) HTR2CHTR2BALDH1A1PKMCYP3A4
Hydrochloric Acid SCHEMBL9275345 0.86 POLB (0.57) HTR2CHTR2BALDH1A1PKMCYP3A4
Hydrochloric Acid SCHEMBL27541627 0.86 ALDH1A1 (0.58) HTR2CHTR2BALDH1A1PKMCYP3A4
Glycine SCHEMBL28382745 0.82 ALDH1A1 (0.54) HTR2CHTR2BALDH1A1PKMCYP3A4

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-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-08-10 US disclosed
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-08-10 US disclosed
US-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 US disclosed
US-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 US disclosed
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 US disclosed
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 US disclosed
EP-2319523-A1 Serine protease inhibitors Trustees Of Tufts College (US) 2011-05-11 EP disclosed
EP-2204181-A2 Protease inhibitors Trustees of Tufts College (US) 2010-07-07 EP disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 US disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 US disclosed
US-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 US disclosed
US-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 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 (3 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC HTR2C 3121/4885HTR2B 1386/4885ALDH1A1 3107/4885
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC HTR2C 3121/4885HTR2B 1386/4885ALDH1A1 3107/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC HTR2C 3121/4885HTR2B 1386/4885ALDH1A1 3107/4885

“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.