SCHEMBL21453073

SCHEMBL21453073

CCCCCCCCCc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.62
LIPG Q9Y5X9 2/20 0.62
TAAR1 Q96RJ0 3/20 0.55
DRD2 P14416 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL12693654 1.00 LPL (0.62) LPLLIPGTAAR1DRD2SLC6A4
SCHEMBL19540034 1.00 LPL (0.62) LPLLIPGTAAR1DRD2SLC6A4
SCHEMBL12693653 0.98 LPL (0.61) LPLLIPGTAAR1DRD2SLC6A4
Ethyne SCHEMBL27743291 0.94 LPL (0.57) LPLLIPGTAAR1DRD2SLC6A4
SCHEMBL1056081 0.92 TAAR1 (0.59) LPLLIPGTAAR1DRD2SLC6A4
Ethane SCHEMBL28237447 0.90 TAAR1 (0.57) LPLLIPGTAAR1DRD2SLC6A4
Formic Acid SCHEMBL27941404 0.88 LPL (0.55) LPLLIPGTAAR1DRD2SLC6A4
SCHEMBL28050134 0.88 LPL (0.51) LPLLIPGTAAR1DRD2SLC6A4
Fluorobenzene SCHEMBL28299508 0.87 LPL (0.57) LPLLIPGTAAR1DRD2PPARG
SCHEMBL29742685 0.86 LPL (0.67) LPLLIPGSLC6A4SLC6A3PPARG

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 2 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-20190307753-A1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2019-10-10 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 (2 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 LPL 1668/4885LIPG 2160/4885TAAR1 1129/4885
US-10780092-B2 Fused pyrazine derivatives useful as soluble guanylate cyclase stimulators PDE2A, PDE3A, PDE5A LPL 1627/4885LIPG 2047/4885TAAR1 1081/4885

“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.