SCHEMBL15845752

SCHEMBL15845752

OB(O)c1cccc(N2CCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
PDE10A Q9Y233 3/20 0.41
TRPV3 Q8NET8 2/20 0.40
HTR3E A5X5Y0 4/20 0.40
HTR3B O95264 4/20 0.40
HTR3A P46098 4/20 0.40
HTR3D Q70Z44 4/20 0.40
HTR3C Q8WXA8 4/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CCR6 P51684 1/20 0.38

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
SCHEMBL29955248 0.98 HSD11B1 (0.44) HSD11B1PDE10ATRPV3HTR3EHTR3B
SCHEMBL15845742 0.84 GAA (0.51) PDE10AALDH1A1MAPTMAPK1POLB
SCHEMBL2120559 0.84 HTR3A (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2553138 0.82 MAPT (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2559110 0.80 MAP4K4 (0.49) ALDH1A1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL15918558 0.80 HTR3E (0.50) HSD11B1PDE10ATRPV3HTR3EHTR3B
SCHEMBL6242988 0.78 HSD11B1 (0.50) HSD11B1PDE10ATRPV3HTR3EHTR3B
SCHEMBL6838679 0.78 HSD11B1 (0.50) HSD11B1PDE10ATRPV3HTR3EHTR3B
SCHEMBL2559839 0.77 PDE10A (0.42) PDE10AHTR3EHTR3BHTR3AHTR3D
SCHEMBL31334907 0.76 PARP1 (0.44) PDE10AALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9656971-B2 COMT inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
EP-2938600-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2017-01-25 EP disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
EP-2938600-A1 COMT INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-04 EP disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 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-20160002177-A1 COMT INHIBITORS COMT, PNMT, SLC6A3 HSD11B1 263/4885PDE10A 989/4885TRPV3 4475/4885

“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.