Sugi Predict

Sugi Predict / Compounds / SCHEMBL13559397

SCHEMBL13559397

SCHEMBL13559397

CC12CC3(N)CC4C5CC(N)(CC41)CC2C5C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2A Q12879 2/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL14040603 0.77 GRIN1 (0.33) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL14287480 0.74 LMNA (0.42) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL30235030 0.71 LMNA (0.50) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL14040607 0.70 GRIN1 (0.37) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL13573456 0.69 LMNA (0.46) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL14040602 0.66 — —
SCHEMBL13508158 0.65 — —
SCHEMBL14040694 0.64 — —
SCHEMBL14051154 0.59 LMNA (0.32) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL12611075 0.59 LMNA (0.38) LMNAGRIN1GRIN2ASLC22A1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299269-B2 Nor-seco-bis-nor-seco, tris-nor-seco, and higher nor-seco-cucurbit[n]uril compounds UNIVERSITY OF MARYLAND (US) 2012-10-30 — — US disclosed
US-20090072191-A1 Nor-Seco-Bis-Nor-Seco, Tris-Nor-Seco, and Higher Nor-Seco-Cucurbit[n]Uril Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-03-19 — — US disclosed
EP-1982970-A1 Diamondoid derivatives possessing therapeutic activity in the treatment of neurologic disorders Chevron USA, Inc. (US) 2008-10-22 — — EP disclosed
US-20080009546-A1 Diamondoid derivatives possessing therapeutic activity in the treatment of neurologic disorders CHEVRON U.S.A. INC. (US) 2008-01-10 — — US disclosed
US-20080009546-A1 Diamondoid derivatives possessing therapeutic activity in the treatment of neurologic disorders CHEVRON U.S.A. INC. (US) 2008-01-10 — — 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-20080009546-A1 Diamondoid derivatives possessing therapeutic activity in the treatment of neurologic disorders CLN6, NLN, CDR2 LMNA 281/4885GRIN1 557/4885GRIN2A 253/4885
US-20090072191-A1 Nor-Seco-Bis-Nor-Seco, Tris-Nor-Seco, and Higher Nor-Seco-Cucurbit[n]Uril Compounds BYSL, URB2, NONO LMNA 2463/4885GRIN1 463/4885GRIN2A 1232/4885

“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.