SCHEMBL1608466

SCHEMBL1608466

CN(C)c1ccc(-c2cc(-c3cccc(OCCF)c3)[nH]n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.52
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 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
SCHEMBL1250391 0.84 APP (0.52) APPRAB9AMAPTNPC1MAPK1
SCHEMBL1250064 0.83 RAB9A (0.58) RAB9AMAPTNPC1MAPK1POLB
SCHEMBL12573274 0.82 APP (0.57) APPRAB9AMAPTNPC1MAPK1
SCHEMBL1251074 0.81 CYP1A2 (0.44) RAB9AMAPTNPC1MAPK1POLB
SCHEMBL1608378 0.81 HPGDS (0.41) RAB9AMAPTNPC1MAPK1POLB
SCHEMBL1249856 0.80 MEN1 (0.45) APPRAB9AMAPTNPC1MAPK1
SCHEMBL1608081 0.79 PRMT5 (0.40) APPRAB9AMAPTNPC1MAPK1
SCHEMBL1251961 0.78 APP (0.47) APPRAB9AMAPTNPC1MAPK1
SCHEMBL1608066 0.78 APP (0.47) APPRAB9AMAPTNPC1MAPK1
SCHEMBL1608106 0.78 APP (0.47) APPRAB9AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US claimed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles APP, PSEN1, BACE1 APP 1/4885RAB9A 4026/4885MAPT 7/4885

“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.