SCHEMBL16249199

SCHEMBL16249199

CC(C)c1cc(F)c(N2CCC(C(C)(C)C)CC2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FFAR4 Q5NUL3 12/20 0.32
TRPV3 Q8NET8 2/20 0.31
MGAT2 Q10469 1/20 0.31
OPRK1 P41145 2/20 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
SCHEMBL16250666 0.82 SSTR2 (0.38) KCNH2FFAR4
SCHEMBL241457 0.81 SSTR2 (0.34) FFAR4OPRK1
SCHEMBL27358364 0.77 FFAR4 (0.35) CYP2D6KCNH2HRH3FFAR4
SCHEMBL16249187 0.76 ALDH1A1 (0.36)
SCHEMBL14924079 0.75 MAPT (0.42) CYP2D6
SCHEMBL16249188 0.75 SLC18A3 (0.43) KCNH2HRH3
SCHEMBL16788907 0.73 SLC6A2 (0.37) FFAR4
SCHEMBL20883672 0.73 ALDH1A1 (0.46)
SCHEMBL21654083 0.73 GAA (0.41)
SCHEMBL25964449 0.72 HSD11B1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232455-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-08-20 US disclosed
US-20150158909-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-06-11 US disclosed
US-20150126747-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-05-07 US disclosed
US-20150105548-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-04-16 US disclosed
US-20150065542-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2015-03-05 US disclosed
US-20150031884-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2015-01-29 US disclosed
US-20140364617-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2014-12-11 US disclosed
US-20140364616-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (IL) 2014-12-11 US disclosed
US-20140343286-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2014-11-20 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 (9 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-20150031884-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20140364616-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20140343286-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20150105548-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20150232455-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20140364617-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20150126747-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20150065542-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885
US-20150158909-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP2D6 3294/4885KCNH2 4567/4885HRH3 3181/4885

“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.