SCHEMBL611434

SCHEMBL611434

C#CCN(CC#C)C12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.53
GRIN2A Q12879 6/20 0.53
GRIN2D O15399 5/20 0.53
GRIN3B O60391 5/20 0.53
GRIN2B Q13224 5/20 0.53
GRIN2C Q14957 5/20 0.53
GRIN3A Q8TCU5 5/20 0.53
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SLC22A1 O15245 1/20 0.38
ESR1 P03372 1/20 0.38
ADRB3 P13945 1/20 0.38
ACHE P22303 1/20 0.38
OPRK1 P41145 1/20 0.38
MTOR P42345 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL611978 0.86 GRIN1 (0.58) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL27586864 0.77 GRIN1 (0.61) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL611018 0.72 GRIN2D (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL659842 0.70 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1150389 0.69 GRIN1 (0.67) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL11656331 0.69 GRIN1 (0.95) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL812216 0.68 GRIN1 (0.68) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1678727 0.67 GRIN2D (0.40) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21756309 0.67 GRIN1 (0.62) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Ammonia Solution, Strong SCHEMBL14695768 0.66 GRIN1 (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 WO disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A GRIN1 2/4885GRIN2A 3/4885GRIN2D 9/4885

“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.