SCHEMBL4228532

SCHEMBL4228532

CC(N)(CC1CCCC1)c1ncc(C(F)(F)F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
APAF1 O14727 2/20 0.32
UBE2N P61088 2/20 0.32
IDE P14735 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CSNK1D P48730 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
P2RX7 Q99572 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CRHR1 P34998 1/20 0.30

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
SCHEMBL4222365 0.75 CETP (0.34) APAF1UBE2NIDERECQLNPSR1
SCHEMBL19625796 0.72 AGBL2 (0.37) RECQLNPSR1CYP1A2TSHRCYP2C19
SCHEMBL4228529 0.69 GRM2 (0.36) GRM2APAF1UBE2NIDERECQL
SCHEMBL4228523 0.68 TRPM8 (0.40) GRM2APAF1UBE2NIDERECQL
SCHEMBL16465396 0.64 P2RX7 (0.47) P2RX7
SCHEMBL4215795 0.62 KMT2A (0.41) ALDH1A1GAAAGBL2
SCHEMBL119830 0.62 KMT2A (0.54) CYP1A2CYP2C19ALDH1A1GAAAGBL2
SCHEMBL13865688 0.62 AGBL2 (0.42) ALDH1A1AGBL2
SCHEMBL31153021 0.61 ALDH1A1 (0.39) ALDH1A1GAAAGBL2
SCHEMBL1336778 0.61 ALDH1A1 (0.39) ALDH1A1GAAAGBL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
EP-1968941-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 WO 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-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP GRM2 4879/4885APAF1 1073/4885UBE2N 4582/4885

“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.