SCHEMBL4228529

SCHEMBL4228529

NCC(CC1CCCC1)c1ncc(C(F)(F)F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
RPS6KB1 P23443 1/20 0.34
GAA P10253 1/20 0.33
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
GCK P35557 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
IDO1 P14902 2/20 0.31
TDO2 P48775 2/20 0.31
EPHX1 P07099 2/20 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
SCHEMBL4234307 0.78 GPBAR1 (0.37) GAAAPAF1UBE2NIDERECQL
SCHEMBL4222356 0.76 APAF1 (0.33) APAF1UBE2NIDERECQLNPSR1
SCHEMBL5623671 0.69 APAF1 (0.34) APAF1UBE2NIDERECQLNPSR1
SCHEMBL4228532 0.69 GRM2 (0.36) GRM2GAAAPAF1UBE2NIDE
SCHEMBL4215795 0.68 KMT2A (0.41) GAA
SCHEMBL16463136 0.68 P2RX7 (0.51)
SCHEMBL4228523 0.66 TRPM8 (0.40) GRM2APAF1UBE2NIDERECQL
SCHEMBL23888234 0.64 L3MBTL1 (0.46) GAA
SCHEMBL29869531 0.64 L3MBTL1 (0.46) GAA
SCHEMBL24468212 0.63 KMT2A (0.46) GAA

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 4879/4885RPS6KB1 3567/4885GAA 590/4885

“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.