SCHEMBL31471467

SCHEMBL31471467

O=C1CC(Oc2ccc(F)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 4/20 0.42
SLC6A4 P31645 1/20 0.40
GPR6 P46095 4/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSPB1 P04792 3/20 0.37
TRPA1 O75762 1/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL29555 0.81 GRIN1 (0.43) GRIN1GRIN2BSLC6A4GPR6TRPA1
SCHEMBL26933609 0.79 GRIN1 (0.45) GRIN1GRIN2BALDH1A1TRPA1
SCHEMBL26933616 0.79 GRIN1 (0.45) GRIN1GRIN2BALDH1A1TRPA1
Hydrochloric Acid SCHEMBL30636301 0.77 GRIN1 (0.44) GRIN1GRIN2BTRPA1
SCHEMBL941030 0.77 SLC6A2 (0.58) SLC6A4
SCHEMBL26144164 0.76 CSNK2A1 (0.41) GRIN1GRIN2BGPR6
SCHEMBL2299176 0.76 GRIN1 (0.40) GRIN1GRIN2BGPR6TRPA1
SCHEMBL14956969 0.76 SLC6A4 (0.59) SLC6A4
Hydrochloric Acid SCHEMBL2778482 0.76 SLC6A2 (0.56) SLC6A4
Hydrochloric Acid SCHEMBL30357915 0.75 SLC6A4 (0.57) SLC6A4

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-20250154173-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-15 US disclosed
WO-2025096697-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-08 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-20250154173-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 GRIN1 579/4885GRIN2B 2105/4885SLC6A4 4724/4885

“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.