SCHEMBL2087447

SCHEMBL2087447

CN1C2CCC1CC(C)(N)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
CYP2C9 P11712 2/20 0.39
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.33
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
SLC22A1 O15245 1/20 0.31
ESR1 P03372 1/20 0.31
ADRB3 P13945 1/20 0.31
ACHE P22303 1/20 0.31
OPRK1 P41145 1/20 0.31
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 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
SCHEMBL26155974 1.00 LMNA (0.39) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL21653687 0.79 LMNA (0.31) LMNACYP2C9GRIN1GRIN2AGRIN2D
SCHEMBL8079753 0.78 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL14298073 0.78 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL14608744 0.77 LMNA (0.42) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL26044406 0.74 LMNA (0.39) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL278484 0.74 LMNA (0.44) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL29309222 0.73 LMNA (0.30) LMNACYP2C9
SCHEMBL5361362 0.72 LMNA (0.33) LMNACYP2C9SLC6A4SLC6A3SLC6A2
SCHEMBL4743604 0.70 LMNA (0.46) LMNACYP2C9SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 US disclosed
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 US disclosed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 US disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 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 (3 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 LMNA 2361/4885CYP2C9 1311/4885SLC6A4 693/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 LMNA 2361/4885CYP2C9 1311/4885SLC6A4 693/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 LMNA 2361/4885CYP2C9 1311/4885SLC6A4 693/4885

“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.