SCHEMBL4023698

SCHEMBL4023698

COC(=O)Cc1ccc(OC)c(OCCN2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.58
LTA4H P09960 1/20 0.56
HTR2C P28335 6/20 0.53
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
MCHR1 Q99705 2/20 0.50
SLC5A7 Q9GZV3 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL4022542 0.92 SIGMAR1 (0.60) SIGMAR1LTA4HHTR2CHTR2AHTR2B
SCHEMBL14221051 0.89 SIGMAR1 (0.62) SIGMAR1LTA4HHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL4623932 0.88 SIGMAR1 (0.61) SIGMAR1LTA4HHTR2CHTR2AHTR2B
SCHEMBL12315758 0.81 KDM4E (0.63) LTA4H
SCHEMBL25940273 0.80 LTA4H (0.62) LTA4H
SCHEMBL2987951 0.79 NPSR1 (0.48)
SCHEMBL4023275 0.79 MEN1 (0.57) SIGMAR1HTR2CHTR2AHTR2BMCHR1
SCHEMBL17709400 0.78 REN (0.49)
SCHEMBL6200574 0.78 MEN1 (0.55) SIGMAR1LTA4HHTR2CHTR2AHTR2B
SCHEMBL198282 0.77 ALDH1A1 (0.62)

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
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
EP-1599445-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2008-04-02 EP disclosed
US-20060205788-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
EP-1599445-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-11-30 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-2004078718-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-09-16 WO 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 (2 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 SIGMAR1 44/4885LTA4H 1141/4885HTR2C 2/4885
US-20060205788-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR2C, HTR7, HTR3C SIGMAR1 40/4885LTA4H 799/4885HTR2C 1/4885

“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.