SCHEMBL4029271

SCHEMBL4029271

C=CCC(C(=O)O)c1ccc(OC)c(OCCN2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.49
HTR2A P28223 4/20 0.49
HTR2B P41595 4/20 0.49
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 3/20 0.46
BCHE P06276 2/20 0.46
MCHR1 Q99705 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LTA4H P09960 1/20 0.44

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
Hydrochloric Acid SCHEMBL4024343 0.99 HTR2C (0.48) HTR2CHTR2AHTR2BSIGMAR1MEN1
SCHEMBL4028957 0.91 HTR2C (0.46) HTR2CHTR2AHTR2BSIGMAR1MEN1
SCHEMBL4621680 0.83 HTR2C (0.54) HTR2CHTR2AHTR2BSIGMAR1MEN1
SCHEMBL3829775 0.81 CYP2C19 (0.55) ACHE
SCHEMBL4032377 0.79 HTR2A (0.49) HTR2CHTR2AHTR2BMCHR1
SCHEMBL4027212 0.78 HTR2C (0.53) HTR2CHTR2AHTR2BSIGMAR1MCHR1
SCHEMBL14221051 0.74 SIGMAR1 (0.62) HTR2CHTR2AHTR2BSIGMAR1MEN1
SCHEMBL4023275 0.73 MEN1 (0.57) HTR2CHTR2AHTR2BSIGMAR1MEN1
Hydrochloric Acid SCHEMBL4623932 0.73 SIGMAR1 (0.61) HTR2CHTR2AHTR2BSIGMAR1MEN1
SCHEMBL6200574 0.72 MEN1 (0.55) HTR2CHTR2AHTR2BSIGMAR1MEN1

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-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
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 (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-20060205788-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR2C, HTR7, HTR3C HTR2C 1/4885HTR2A 13/4885HTR2B 16/4885

“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.