SCHEMBL3207206

SCHEMBL3207206

Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cnc2C(=O)NCC2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.43
CETP P11597 12/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
MCHR1 Q99705 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
SCHEMBL3207160 0.89 CETP (0.39) CETP
SCHEMBL3221198 0.86 CETP (0.41) CETP
SCHEMBL3205200 0.86 SGMS2 (0.40) CETP
SCHEMBL3198681 0.85 CETP (0.39) CETP
SCHEMBL13491317 0.85 CETP (0.39) CETP
SCHEMBL4220331 0.85 CETP (0.37) GLSCETP
SCHEMBL3201375 0.85 CETP (0.41) CETP
SCHEMBL13491322 0.82 CETP (0.38) CETP
SCHEMBL3209856 0.82 CETP (0.38) CETP
SCHEMBL3217676 0.82 CETP (0.40) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041705-A1 Organic Compounds NOVARTIS AG 2010-02-18 US disclosed
US-20100041705-A1 Organic Compounds NOVARTIS AG 2010-02-18 US disclosed
US-20100041705-A1 Organic Compounds NOVARTIS AG 2010-02-18 US disclosed
WO-2008058961-A1 HETEROCYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-05-22 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-20100041705-A1 Organic Compounds CETP, NPC1, LCAT GLS 4160/4885CETP 1/4885HDAC6 760/4885

“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.