SCHEMBL16460189

SCHEMBL16460189

CC1(CO)COC(c2ccc(F)cc2)=N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ATM Q13315 1/20 0.34
IL2 P60568 1/20 0.34
KDM4E B2RXH2 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL16459758 0.86 LMNA (0.47) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL16459165 0.84 LMNA (0.62) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL16459397 0.84 LMNA (0.46) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL16459040 0.84 LMNA (0.46) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL16460055 0.84 LMNA (0.46) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL12471989 0.84 LMNA (0.66) LMNAMAPTHTTCYP2D6HRH3
SCHEMBL16459020 0.82 MEN1 (0.45) LMNAMAPTHRH3KDM4E
SCHEMBL3751992 0.78 LMNA (0.55) LMNAMAPTHTTCYP1A2CYP3A4
SCHEMBL16475556 0.77 LMNA (0.42) LMNAMAPTHTTCYP1A2CYP2D6
SCHEMBL2089725 0.77 LMNA (0.39) LMNAMAPTHTTCYP2D6HRH3

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-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 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-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF MINK1, MELK, MRPL21 LMNA 1949/4885MAPT 4847/4885HTT 4005/4885

“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.