SCHEMBL1310372

SCHEMBL1310372

CN(C(=O)C(F)(F)F)c1ccc(C#CCCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.44
GABRD O14764 4/20 0.44
GABRA1 P14867 4/20 0.44
GABRB1 P18505 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRA4 P48169 4/20 0.44
GABRE P78334 4/20 0.44
GABRA6 Q16445 4/20 0.44
GABRG1 Q8N1C3 4/20 0.44
GABRG3 Q99928 4/20 0.44
GABRQ Q9UN88 4/20 0.44
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MMP2 P08253 3/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL3368857 0.79 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1311069 0.77 CHRNB2 (0.33) FFAR1FFAR4MAPTMLYCDAPP
SCHEMBL12119116 0.76 CYP4A11 (0.44) MAPTMLYCDSMN1; SMN2
SCHEMBL2946865 0.71 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21477233 0.70 MAPT (0.46) MAPTMLYCDSMN1; SMN2
SCHEMBL18453785 0.70 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25175683 0.69 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12203987 0.69 SMN1; SMN2 (0.46) MAPTMLYCDSMN1; SMN2
SCHEMBL2955493 0.69 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26343929 0.69 MAPT (0.45) MAPTMLYCDCRHBPCRHR2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
WO-2011143105-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 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 (2 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 GABRP 356/4885GABRD 648/4885GABRA1 217/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 GABRP 374/4885GABRD 573/4885GABRA1 183/4885

“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.