SCHEMBL4029263

SCHEMBL4029263

CC(=O)Nc1ccc(N)cc1OCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.57
▸ RAD52 P43351 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HRH3 Q9Y5N1 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
SCHEMBL915244 0.89 RAD52 (0.57) HTR2CRAD52GFERMEN1KMT2A
SCHEMBL6371126 0.86 HTR2C (0.53) HTR2CMEN1KMT2AGAASMN1; SMN2
SCHEMBL4026160 0.82 ALDH1A1 (0.59) HTR2CGFERMEN1KMT2ATSHR
SCHEMBL21616841 0.78 BACE1 (0.69) BACE1LTA4HPTGS1PTGS2HRH3
SCHEMBL25692523 0.77 MAPK8 (0.44) GAASMN1; SMN2
SCHEMBL4521276 0.76 ALDH1A1 (0.56) MEN1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL30847362 0.76 ALDH1A1 (0.56) MEN1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL13946680 0.76 LTA4H (0.55) SMN1; SMN2TSHRBACE1LTA4HPTGS1
SCHEMBL5474831 0.76 HTR2C (0.60) HTR2CSMN1; SMN2LTA4H
SCHEMBL4267515 0.76 LTA4H (0.61) HTR2CGAASMN1; SMN2LTA4HPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 — — EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 — — US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 — — EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 — — 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C HTR2C 2/4885RAD52 1469/4885GFER 1497/4885

“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.

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