SCHEMBL2848845

SCHEMBL2848845

CCCCCCCCC#Cc1ccc(CN(Cc2ccc(CCC(=O)O)cc2)C(=O)CCC2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.65
FFAR4 Q5NUL3 5/20 0.65
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
HTR5A P47898 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
TNK2 Q07912 1/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL2857437 0.90 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12HTR5A
SCHEMBL2853027 0.88 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12HTR5A
SCHEMBL13711632 0.88 HTR5A (0.49) FFAR1FFAR4HTR5ASLC6A4HTR1A
SCHEMBL13708322 0.83 FFAR1 (0.42) FFAR1FFAR4MMP2MMP12HTR5A
SCHEMBL2854930 0.83 FFAR1 (0.43) FFAR1FFAR4MMP2MMP12HTR5A
SCHEMBL1734729 0.82 RARB (0.46) HTR5ASLC6A4HTR1ADRD2DRD4
SCHEMBL13711794 0.79 LTB4R2 (0.47) HTR5ASLC6A4
SCHEMBL2854607 0.78 SMN1; SMN2 (0.39) FFAR1FFAR4MMP2MMP12HTR5A
SCHEMBL14538812 0.77 SLC6A4 (0.46) HTR5ASLC6A4HTR1ADRD2DRD4
SCHEMBL2875007 0.77 SLC6A4 (0.43) HTR5ASLC6A4HTR1ADRD2DRD4

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 10 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 claimed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US claimed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US claimed
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-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 FFAR1 91/4885FFAR4 218/4885MMP2 2103/4885

“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.