SCHEMBL7682336

SCHEMBL7682336

O=C(O)CCN1CCN(C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
HTR2C P28335 4/20 0.49
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
NCOR2 Q9Y618 5/20 0.46
HDAC2 Q92769 4/20 0.46
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.44
DRD3 P35462 2/20 0.43
HTR1A P08908 1/20 0.43

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
Hydrochloric Acid SCHEMBL7672600 0.99 P2RX7 (0.51) P2RX7HTR2CPOLBL3MBTL1KDM4E
SCHEMBL7672812 0.92 P2RX7 (0.56) P2RX7HTR2CPOLBHDAC3HDAC1
Hydrochloric Acid SCHEMBL7675560 0.91 P2RX7 (0.55) P2RX7HTR2CHDAC3HDAC1HDAC8
SCHEMBL7681242 0.91 P2RX7 (0.55) P2RX7HTR2CHDAC3HDAC1HDAC8
Hydrochloric Acid SCHEMBL7673708 0.90 P2RX7 (0.54) P2RX7HTR2CHDAC3HDAC1HDAC8
SCHEMBL7682324 0.86 ALDH1A1 (0.53) P2RX7HTR2CPOLBL3MBTL1HDAC8
SCHEMBL7682340 0.82 P2RX7 (0.47) P2RX7HTR2CPOLBL3MBTL1HDAC1
SCHEMBL9468186 0.80 P2RX7 (0.53) P2RX7
SCHEMBL7678668 0.79 P2RX7 (0.51) P2RX7HTR2CHDAC3HDAC1HDAC8
SCHEMBL7675822 0.78 P2RX7 (0.50) P2RX7HTR2CPOLBL3MBTL1HDAC1

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
US-20020151539-A1 Novel heterocyclic compounds JORGENSEN TINE KROGH (DK) 2002-10-17 US claimed
US-6054458-A Heterocyclic compounds NOVONORDISKALS (DK) 2000-04-25 US claimed
EP-0991633-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP claimed
WO-1999000376-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO claimed
US-20020151539-A1 Novel heterocyclic compounds JORGENSEN TINE KROGH (DK) 2002-10-17 US disclosed
US-6391890-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS, NON-INSULIN DEPENDENT DIABETES NOVO NORDISK A/S (DK) 2002-05-21 US disclosed
US-6054458-A Heterocyclic compounds NOVONORDISKALS (DK) 2000-04-25 US disclosed
EP-0991633-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP disclosed
WO-1999000376-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO 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 (1 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-20020151539-A1 Novel heterocyclic compounds IAPP, GPR119, NPY1R P2RX7 68/4885HTR2C 835/4885POLB 3313/4885

“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.