SCHEMBL4834374

SCHEMBL4834374

COc1ccc2ccccc2c1-c1coc(NC(C)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.41
NISCH Q9Y2I1 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 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
SCHEMBL6241725 0.78 MAPT (0.48) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL4835963 0.77 ALOX15 (0.49) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL4519681 0.76 MAPT (0.49) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL4837388 0.76 MEN1 (0.60) MAPTMEN1KMT2AHPGDNISCH
SCHEMBL23499928 0.72 MTNR1A (0.56) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL4532924 0.71 HTR6 (0.51) MAPTMTNR1AMTNR1BNISCHLMNA
SCHEMBL16237145 0.69 MAPT (0.71) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL29428410 0.69 MAPT (1.00) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL998182 0.69 MAPT (1.00) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL4836793 0.69 MEN1 (0.41) MAPTMEN1KMT2AHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 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-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C MAPT 4439/4885MEN1 3931/4885KMT2A 2504/4885

“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.