SCHEMBL21165989

SCHEMBL21165989

CNC12CC(C)CC(CC(C)C1)C2

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.71
GRIN3B O60391 2/20 0.71
GRIN1 Q05586 2/20 0.71
GRIN2A Q12879 2/20 0.71
GRIN2B Q13224 2/20 0.71
GRIN2C Q14957 2/20 0.71
GRIN3A Q8TCU5 2/20 0.71
EPHX2 P34913 2/20 0.34
EPHX1 P07099 2/20 0.34
SIGMAR1 Q99720 1/20 0.32
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL178462 0.84 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Water SCHEMBL28240546 0.81 GRIN2D (0.94) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3027024 0.81 GRIN2D (0.94) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18508447 0.79 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24017832 0.78 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15101088 0.78
Hydrochloric Acid SCHEMBL17582395 0.75
SCHEMBL26240557 0.75 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13968181 0.73 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22991727 0.72 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-3510024-B1 PYRIDYL SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 EP disclosed
WO-2021022185-A1 POLY(BETA-THIOESTER) POLYMERS AND POLYMERIC NANOPARTICLES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-02-04 WO disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 GRIN2D 1009/4885GRIN3B 459/4885GRIN1 294/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GRIN2D 1009/4885GRIN3B 459/4885GRIN1 294/4885

“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.