SCHEMBL2340412

SCHEMBL2340412

COC(=O)C1(C)CC[C@H](N)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SOD1 P00441 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2340414 1.00 NPSR1 (0.33) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL17064244 1.00 NPSR1 (0.33) NPSR1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL17062254 0.98 NPSR1 (0.32) NPSR1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL17064251 0.98 NPSR1 (0.32) NPSR1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL17062207 0.98 NPSR1 (0.32) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL22838077 0.89 NPSR1 (0.35) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL18629006 0.89 NPSR1 (0.35) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL9043242 0.88 FFAR3 (0.36) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL13240707 0.88 FFAR3 (0.36) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL13240708 0.88 FFAR3 (0.36) NPSR1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114128-A1 NOVEL 6-FUSED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-01-11 EP disclosed
WO-2015132276-A1 NOVEL 6-FUSED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-09-11 WO disclosed
CN-102762102-A Novel oxadiazole compounds ABBOTT LAB 2012-10-31 CN disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 NPSR1 472/4885MAPT 4556/4885MEN1 2929/4885

“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.