SCHEMBL5079705

SCHEMBL5079705

C[C@@H]([C]=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
EPHX2 P34913 4/20 0.40
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC22A2 O15244 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL5079704 1.00 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL105165 0.75 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL839162 0.69 SMN1; SMN2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8812116 0.69 SMN1; SMN2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL839161 0.69 SMN1; SMN2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30444009 0.68 KMT2A (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5988473 0.68 SMN1; SMN2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5988469 0.68 SMN1; SMN2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5509409 0.67 EPHX2 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27651884 0.67 SLC22A2 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists VOYAGER PHARMACEUTICAL CORPORATION 2008-07-17 US claimed
EP-0316965-A2 Enzyme inhibitors Aktiebolaget Hässle (SE) 1989-05-24 EP claimed
US-5110904-A Luteinizing hormone releasing hormone; suppression of sex hormones ABBOTT LABORATORIES (US) 1992-05-05 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-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists GNRHR, GRIN1, GRIN3A GRIN2D 59/4885GRIN3B 5/4885GRIN1 2/4885

“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.