SCHEMBL4234307

SCHEMBL4234307

NCC(CC1CCCC1)c1ncc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.37
TACR1 P25103 2/20 0.36
APAF1 O14727 2/20 0.35
UBE2N P61088 2/20 0.35
IDE P14735 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.32
EPHX1 P07099 1/20 0.32
CCR2 P41597 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
DDR1 Q08345 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
SCHEMBL5623671 0.82 APAF1 (0.34) GPBAR1TACR1APAF1UBE2NIDE
SCHEMBL5623686 0.82 TACR1 (0.40) GPBAR1TACR1APAF1UBE2NIDE
SCHEMBL5628380 0.82 TACR1 (0.33) GPBAR1TACR1APAF1UBE2NIDE
SCHEMBL5627070 0.80 TACR1 (0.40) GPBAR1TACR1CCR2
SCHEMBL5623804 0.78 TACR1 (0.31) GPBAR1TACR1
SCHEMBL4228529 0.78 GRM2 (0.36) APAF1UBE2NIDERECQLNPSR1
SCHEMBL4222356 0.78 APAF1 (0.33) APAF1UBE2NIDERECQLNPSR1
SCHEMBL5624607 0.78 BCDIN3D (0.33) TACR1APAF1UBE2NIDERECQL
SCHEMBL5623662 0.77 TACR1 (0.41) GPBAR1TACR1CCR2
SCHEMBL5046166 0.77 DRD4 (0.40) GPBAR1TACR1IDECCR2MEN1

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 GPBAR1 443/4885TACR1 1092/4885APAF1 1073/4885

“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.