SCHEMBL23852199

SCHEMBL23852199

CCOC(=O)CCN1CC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KAT2B Q92831 1/20 0.38
CREBBP Q92793 1/20 0.38
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 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
SCHEMBL8957048 0.79 LMNA (0.49) ALDH1A1TRPA1L3MBTL1KMT2AALOX15
SCHEMBL674463 0.79 LMNA (0.49) ALDH1A1TRPA1L3MBTL1KMT2AALOX15
SCHEMBL29700358 0.79 LMNA (0.49) ALDH1A1TRPA1L3MBTL1KMT2AALOX15
SCHEMBL3398661 0.76 LMNA (0.46) ALDH1A1TRPA1L3MBTL1KMT2ALMNA
SCHEMBL8735577 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL18164971 0.74 LMNA (0.45) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
Bromide SCHEMBL4967971 0.74 ALDH1A1 (0.48) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL12156674 0.74 TSHR (0.45) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL10256974 0.74 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2ALMNACYP1A2
SCHEMBL12156754 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883576-B1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-17 EP disclosed
US-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-09-16 US disclosed
US-20220040184-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP DOHME CORP. (US) 2022-02-10 US disclosed
EP-3883576-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE Merck Sharp & Dohme Corp. (US) 2021-09-29 EP 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-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2B, ADORA2A, ADORA3 ALDH1A1 698/4885TRPA1 275/4885L3MBTL1 4559/4885
US-20220040184-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2B, ADORA2A, ADORA3 ALDH1A1 698/4885TRPA1 275/4885L3MBTL1 4559/4885

“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.