SCHEMBL2855299

SCHEMBL2855299

CC1(C)OC(=O)c2ccc(N(Cc3ccc(C#CCCCc4ccccc4)cc3)C(=O)CCC3CCCC3)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.38
HTR5A P47898 7/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
F2 P00734 5/20 0.34
F10 P00742 4/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
MLYCD O95822 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL13513499 0.92 SLC6A4 (0.33) SLC6A4HTR5AHTR1ADRD2DRD4
SCHEMBL2855107 0.90 PTPN11 (0.36) SLC6A4HTR5AHTR1ADRD2DRD4
SCHEMBL4457062 0.89 SLC6A4 (0.35) SLC6A4HTR5AHTR1ADRD2DRD4
SCHEMBL2854916 0.86 CNR2 (0.36) SLC6A4HTR5AF2F10LTB4R2
SCHEMBL2857283 0.85 PTGES (0.39) SLC6A4HTR5AF2F10MLYCD
SCHEMBL2855293 0.85 FFAR1 (0.37) FFAR1FFAR4LTB4R2
SCHEMBL2861742 0.84 SLC6A4 (0.37) SLC6A4HTR5AHTR1ADRD2DRD4
SCHEMBL2853674 0.84 LTB4R2 (0.37) F2F10LTB4R2ITGB3ITGA2B
SCHEMBL13711662 0.84 SLC6A4 (0.41) SLC6A4HTR5AHTR1ADRD2DRD4
SCHEMBL2858908 0.84 PTPN11 (0.36) SLC6A4HTR5AHTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS SLC6A4 3541/4885HTR5A 459/4885HTR1A 393/4885

“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.