SCHEMBL13092147

SCHEMBL13092147

[C-]#[N+]c1cc(C(=O)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.34
TRPV1 Q8NER1 1/20 0.34
KCNH2 Q12809 6/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
KAT6A Q92794 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B14 Q9BPX1 1/20 0.31

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
SCHEMBL14533779 0.83 HSD17B14 (0.48) CETPTRPV1ALDH1A1TSHRHSD17B10
SCHEMBL759374 0.82 TRPV1 (0.36) CETPTRPV1KCNH2ALDH1A1TSHR
SCHEMBL759899 0.81 ALDH1A1 (0.42) TRPV1ALDH1A1TSHRHSD17B10MEN1
SCHEMBL14297752 0.80 CETP (0.38) CETPTRPV1KCNH2ALDH1A1TSHR
SCHEMBL762158 0.80 CYP1A2 (0.42) CETPKCNH2ALDH1A1TSHRMAPT
SCHEMBL761483 0.80 CNR2 (0.40) CETPTRPV1KCNH2ALDH1A1TSHR
SCHEMBL760263 0.79 CETP (0.48) CETPTRPV1KCNH2MEN1KMT2A
SCHEMBL759733 0.76 CETP (0.38) CETPTRPV1KCNH2MEN1KMT2A
SCHEMBL761555 0.73 HDAC1 (0.52) CETPKCNH2
SCHEMBL14520962 0.73 CETP (0.37) CETPTRPV1KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (3 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885TRPV1 3150/4885KCNH2 2789/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885TRPV1 3150/4885KCNH2 2789/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885TRPV1 3150/4885KCNH2 2789/4885

“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.