SCHEMBL16249192

SCHEMBL16249192

CC(C)c1cc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
AKR1C3 P42330 1/20 0.42
CACNA1G O43497 1/20 0.39
DHFR P00374 1/20 0.39
HTR1A P08908 3/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A9 P48067 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PHGDH O43175 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 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
SCHEMBL14137697 0.84 PHGDH (0.48) CA12CA2CA9AKR1C3CACNA1G
SCHEMBL240195 0.81 DHFR (0.48) CA12CA2CA9AKR1C3CACNA1G
SCHEMBL16788907 0.77 SLC6A2 (0.37) DRD2HTR2ASLC6A2MEN1HTT
SCHEMBL28650484 0.76 CA12 (0.65) CA12CA2CA9AKR1C3CACNA1G
SCHEMBL14924079 0.75 MAPT (0.42) KMT2A
SCHEMBL13283424 0.73 MAPT (0.61) CA12CA2CA9AKR1C3CACNA1G
SCHEMBL16249187 0.73 ALDH1A1 (0.36) CA12CA2CA9MEN1HTT
SCHEMBL22875958 0.71 CA12 (0.56) CA12CA2CA9AKR1C3DHFR
SCHEMBL2056173 0.71 ALDH1A1 (0.57) CA12CA2CA9AKR1C3DHFR
SCHEMBL27236235 0.71 MAPT (0.62) CA12CA2CA9AKR1C3DHFR

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 CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20140364616-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20140343286-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20150105548-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20150232455-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20140364617-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20150126747-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20150065542-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885
US-20150158909-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CA12 3463/4885CA2 4519/4885CA9 4111/4885

“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.