SCHEMBL16249191

SCHEMBL16249191

CC(C)c1cc(F)c(N2CCC(c3ccccn3)CC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
FFAR4 Q5NUL3 4/20 0.39
DRD4 P21917 8/20 0.38
DRD2 P14416 5/20 0.38
DRD3 P35462 4/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GRM2 Q14416 2/20 0.37
DGAT1 O75907 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL16250669 0.86 DRD4 (0.45) FFAR4DRD4DRD2DRD3ADRA1D
SCHEMBL238412 0.83 GRM2 (0.41) FFAR4DRD4DRD2DRD3CHRM2
SCHEMBL16249188 0.80 SLC18A3 (0.43) DRD2GRM2
SCHEMBL16249190 0.74 DRD2 (0.48) FFAR4DRD2
SCHEMBL16218248 0.72 CHRM2 (0.47) KDM5ADRD4DRD2DRD3CHRM2
SCHEMBL16788907 0.72 SLC6A2 (0.37) FFAR4DRD2ALDH1A1MAPT
SCHEMBL171599 0.70 DRD4 (0.48) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL29352448 0.70 DRD4 (0.48) DRD4DRD2DRD3CHRM2CHRM4
SCHEMBL16249199 0.70 CYP2D6 (0.33) FFAR4
SCHEMBL27358364 0.69 FFAR4 (0.35) FFAR4DRD3CHRM2CHRM1ADRA1A

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 KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20140364616-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20140343286-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20150105548-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20150232455-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20140364617-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20150126747-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20150065542-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885
US-20150158909-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KDM5A 3365/4885FFAR4 4220/4885DRD4 2753/4885

“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.