SCHEMBL2853647

SCHEMBL2853647

O=C(O)c1ccc2c(c1)C(N(Cc1ccc(C#Cc3ccc(F)cc3)cc1)C(=O)CCC1CCCC1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.38
AGER Q15109 2/20 0.37
MTNR1A P48039 1/20 0.37
ACHE P22303 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 1/20 0.35
HCRTR1 O43613 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
FFAR1 O14842 1/20 0.34
SSTR3 P32745 1/20 0.34
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HTR5A P47898 1/20 0.33
RARA P10276 1/20 0.33

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
SCHEMBL13711677 0.92 HTR5A (0.40) AGERMTNR1AACHEMEN1KMT2A
SCHEMBL2851006 0.90 NSD2 (0.36) NSD2AGERMTNR1AACHETACR1
SCHEMBL1734634 0.89 PTPN11 (0.37) ACHETAS2R14RXRARXRBRXRG
SCHEMBL2876242 0.88 ACHE (0.34) NSD2MTNR1AACHETACR1FFAR1
SCHEMBL13711656 0.82 HTR5A (0.38) ACHEHTR5A
SCHEMBL13711745 0.81 RARB (0.43) MEN1KMT2AHTR5ARARARARB
SCHEMBL2858230 0.80 TAOK1 (0.38) HCRTR1
SCHEMBL2858467 0.72 SSTR3 (0.48) MEN1KMT2ASSTR3
SCHEMBL13711804 0.72 TAOK1 (0.40) HCRTR1HTR5A
SCHEMBL784750 0.71 ALDH1A1 (0.40) ACHEMEN1KMT2ARXRARXRB

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-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

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 NSD2 2471/4885AGER 1916/4885MTNR1A 1002/4885

“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.