SCHEMBL1968466

SCHEMBL1968466

FC(F)(F)c1ccccc1-c1[c]nccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
NOTUM Q6P988 2/20 0.40
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 4/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPY5R Q15761 1/20 0.38
KMO O15229 2/20 0.38
BACE1 P56817 1/20 0.38
CYP2D6 P10635 4/20 0.38
PSMB8 P28062 1/20 0.37
CYP2C9 P11712 2/20 0.37
CLK4 Q9HAZ1 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL16554016 0.80 TAAR1 (0.36) CYP1A2CYP3A4CYP2C19MAPK1TDP1
SCHEMBL1968471 0.76 NISCH (0.38) NOTUMTDP1ALDH1A1BACE1
SCHEMBL1369845 0.72 HSD11B1 (0.42) HSD11B1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL3758938 0.72 ALDH1A1 (0.46) CYP3A4TDP1ALDH1A1ALOX15HSD17B10
SCHEMBL3751745 0.72 IDO1 (0.41) CYP3A4MAPK1TDP1ALDH1A1ALOX15
SCHEMBL3759979 0.72 NPC1 (0.39) CYP1A2CYP3A4CYP2C19MAPK1ALDH1A1
SCHEMBL1965907 0.72 CYP2A6 (0.40) HSD11B1NOTUMTDP1ALDH1A1TSHR
SCHEMBL197671 0.71 HSD11B1 (0.56) HSD11B1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL4909130 0.71
SCHEMBL3762545 0.69 DRD2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 HSD11B1 1063/4885NOTUM 1573/4885CYP1A2 2635/4885

“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.