SCHEMBL18014755

SCHEMBL18014755

C[C@@H](c1cccc(-c2cc(F)ccc2F)n1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
IDH1 O75874 1/20 0.36
TRPV3 Q8NET8 5/20 0.34
S1PR1 P21453 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PTPN1 P18031 1/20 0.33
KIF11 P52732 2/20 0.32
KCNH2 Q12809 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2B P41595 1/20 0.32
GPR65 Q8IYL9 1/20 0.32
KCNA5 P22460 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL18014722 0.87 TGFBR1 (0.37) CTSATRPV3HTR1BHTR2BGPR65
SCHEMBL16629558 0.85 CTSA (0.41) CTSAIDH1TRPV3S1PR1L3MBTL1
SCHEMBL18014761 0.77 TRPV3 (0.40) TRPV3
SCHEMBL18014757 0.76 TRPV3 (0.44) TRPV3CASP3SENP8SENP7SENP6
SCHEMBL4402521 0.76 L3MBTL1 (0.42) CTSAIDH1L3MBTL1CASP3SENP8
SCHEMBL18014721 0.75 CNR2 (0.51) CTSATRPV3
SCHEMBL18014762 0.73 CNR1 (0.35) CTSATRPV3
SCHEMBL18014760 0.73 HSD11B1 (0.45) TRPV3
SCHEMBL2609356 0.73 KMO (0.42) CTSAL3MBTL1CASP3SENP8SENP7
SCHEMBL18015820 0.72 HTR1B (0.43) CTSATRPV3HTR1BHTR2BGPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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 (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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CTSA 607/4885IDH1 842/4885TRPV3 3597/4885

“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.