SCHEMBL4022237

SCHEMBL4022237

O=[N+]([O-])c1ccc(Cl)c(OCCN2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.57
PTGS2 P35354 3/20 0.57
PTGS1 P23219 2/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 2/20 0.57
HRH3 Q9Y5N1 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HTR2C P28335 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL19461835 0.92 HRH3 (0.57) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL1641697 0.88 LTA4H (0.59) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL29277214 0.88 TSHR (0.67) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL27901550 0.85 HTT (0.57) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL5476571 0.84 LTA4H (0.56) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL4192478 0.84 LTA4H (0.56) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL447689 0.82 CYP2D6 (0.59) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL1929880 0.82 LTA4H (0.57) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL264564 0.82 LTA4H (0.57) LTA4HPTGS2PTGS1ALDH1A1KDM4E
SCHEMBL3441632 0.82 LTA4H (0.57) LTA4HPTGS2PTGS1ALDH1A1KDM4E

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 5 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
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 LTA4H 1141/4885PTGS2 1955/4885PTGS1 1743/4885

“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.