SCHEMBL7758952

SCHEMBL7758952

CCCCCCCCCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.58
TAAR1 Q96RJ0 3/20 0.54
AOC3 Q16853 1/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
TYR P14679 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
TLR8 Q9NR97 3/20 0.45
BCL2L1 Q07817 2/20 0.45

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
SCHEMBL14402389 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL19540033 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL2584935 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL2241863 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL19540031 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL14402410 0.98 TAAR1 (0.56) LIPGTAAR1AOC3NR1H2NR1H3
Ethyne SCHEMBL27743288 0.94 TAAR1 (0.52) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL1073302 0.91 TAAR1 (0.58) LIPGTAAR1AOC3CYP3A4TYR
SCHEMBL20382473 0.89 HTR2A (0.52) LIPGTAAR1AOC3TP53CYP3A4
Methoxymethane SCHEMBL28252584 0.85 LIPG (0.49) LIPGTAAR1MEN1TP53CYP3A4

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
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2020-09-22 US disclosed
US-20200216401-A1 NOVEL SYRINGOLIN ANALOGUES AND METHODS OF MAKING AND USING SAME UNIV BROWN (US) 2020-07-09 US disclosed
US-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2019-10-10 US disclosed
CN-101068774-B 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-alpha AMOREPACIFIC CORP 2011-08-10 CN disclosed
CN-101068774-A 2-cyclopenten-1-one oxime derivatives inhibiting production of TNF-alpha AMOREPACIFIC CORP (KR) 2007-11-07 CN disclosed
EP-0851864-B1 NOVEL COUPLING AGENTS, PROCESSES FOR THEIR PREPARATION AND HAIR DYES SCHWARZKOPF GMBH HANS (DE) 2001-05-23 EP disclosed
US-5961668-A 4-(2,4-diaminophenoxymethyl)-1,3-dioxolane secondary intermediates, processes for their production, and hair colorants HANS SCHWARZKOPF GMBH & CO. KG (DE) 1999-10-05 US disclosed
EP-0851864-A1 NOVEL COUPLING AGENTS, PROCESSES FOR THEIR PREPARATION AND HAIR DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1998-07-08 EP disclosed
WO-1997010237-A1 NOVEL COUPLING AGENTS, PROCESSES FOR THEIR PREPARATION AND HAIR DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1997-03-20 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 (3 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-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS PDE2A, PDE3A, PDE5A LIPG 2160/4885TAAR1 1129/4885AOC3 3800/4885
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators PDE2A, PDE3A, PDE5A LIPG 2047/4885TAAR1 1081/4885AOC3 3746/4885
US-20200216401-A1 NOVEL SYRINGOLIN ANALOGUES AND METHODS OF MAKING AND USING SAME XIAP, PSMG3, SYVN1 LIPG 4163/4885TAAR1 4697/4885AOC3 3242/4885

“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.