SCHEMBL6003457

SCHEMBL6003457

NC12CC3CC(C1)CC(C(F)(F)F)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
GRIN1 Q05586 6/20 0.44
GRIN2A Q12879 6/20 0.44
GRIN2D O15399 5/20 0.44
GRIN3B O60391 5/20 0.44
GRIN2B Q13224 5/20 0.44
GRIN2C Q14957 5/20 0.44
GRIN3A Q8TCU5 5/20 0.44
LMNA P02545 4/20 0.44
SLC22A1 O15245 2/20 0.44
NFKB1 P19838 2/20 0.44
SLC22A2 O15244 1/20 0.44
TSHR P16473 1/20 0.44
STAT6 P42226 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
POLB P06746 2/20 0.42
THRB P10828 2/20 0.42
PMP22 Q01453 2/20 0.42
BLM P54132 1/20 0.42

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
Hydrochloric Acid SCHEMBL27688881 0.98 LMNA (0.46) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL11451613 0.84 PKM (0.30) PKM
SCHEMBL11637175 0.77 GRIN1 (0.47) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL9914296 0.75 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL510762 0.75 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12130587 0.75 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL8720366 0.75 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12132159 0.75 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12934488 0.74 TSHR (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL890623 0.73 GRIN2D (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed
EP-4192812-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
EP-4192813-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
EP-3307741-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
WO-2017160926-A1 ANALGESIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2017-09-21 WO disclosed
WO-2016198342-A1 POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC M2 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO disclosed
US-20060199816-A1 Aryl sulfonyl piperidines GILLESPIE PAUL 2006-09-07 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-20060199816-A1 Aryl sulfonyl piperidines GPR119, SLC5A2, GLS2 PKM 436/4885GRIN1 3356/4885GRIN2A 2397/4885

“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.