SCHEMBL4621680

SCHEMBL4621680

COc1ccc(C(C)C(=O)O)cc1OCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.54
HTR2A P28223 3/20 0.54
HTR2B P41595 3/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
SLC5A7 Q9GZV3 1/20 0.51
MCHR1 Q99705 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LTA4H P09960 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
HIF1A Q16665 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL4027212 0.90 HTR2C (0.53) HTR2CHTR2AHTR2BHTTSMN1; SMN2
SCHEMBL4029271 0.83 HTR2C (0.49) HTR2CHTR2AHTR2BHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4024343 0.82 HTR2C (0.48) HTR2CHTR2AHTR2BHTTSMN1; SMN2
SCHEMBL12781820 0.79 ALDH1A1 (0.67) HTR2CHTR2AHTR2BHTTSMN1; SMN2
SCHEMBL10169464 0.79 SMN1; SMN2 (0.73) HTTSMN1; SMN2MCHR1MEN1KMT2A
SCHEMBL14221051 0.79 SIGMAR1 (0.62) HTR2CHTR2AHTR2BSIGMAR1MCHR1
SCHEMBL4023275 0.78 MEN1 (0.57) HTR2CHTR2AHTR2BSIGMAR1SLC5A7
Hydrochloric Acid SCHEMBL4623932 0.78 SIGMAR1 (0.61) HTR2CHTR2AHTR2BSIGMAR1MCHR1
SCHEMBL4028957 0.78 HTR2C (0.46) HTR2CHTR2AHTR2BHTTSMN1; SMN2
SCHEMBL3673327 0.77 HIF1A (0.59) SMN1; SMN2HIF1A

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-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
WO-2004078718-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-09-16 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.