SCHEMBL16629558

SCHEMBL16629558

CC(C)c1cccc(-c2cc(F)ccc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.41
HTR1B P28222 1/20 0.40
HTR2B P41595 1/20 0.40
GPR65 Q8IYL9 1/20 0.40
IDH1 O75874 1/20 0.40
TACR3 P29371 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CCNT1 O60563 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PTPN1 P18031 1/20 0.36
TRPV3 Q8NET8 2/20 0.35
TGFBR1 P36897 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2609356 0.87 KMO (0.42) CTSAHTR1BHTR2BGPR65TACR3
SCHEMBL18015820 0.86 HTR1B (0.43) CTSAHTR1BHTR2BGPR65PDE2A
SCHEMBL18014755 0.85 CTSA (0.38) CTSAHTR1BHTR2BGPR65IDH1
SCHEMBL4402521 0.81 L3MBTL1 (0.42) CTSAIDH1L3MBTL1CASP3SENP8
SCHEMBL2609366 0.78 KMO (0.45) CTSAHTR1BHTR2BGPR65TGFBR1
SCHEMBL15981037 0.77 MAP4K4 (0.47) TRPV3
SCHEMBL2609354 0.77 CTSA (0.39) CTSAHTR1BHTR2BGPR65PDE10A
SCHEMBL2609327 0.76 SCN9A (0.48) TACR3TRPV3TGFBR1NPC1RAB9A
SCHEMBL2609345 0.75 TRPV3 (0.43) CTSAHTR1BHTR2BGPR65L3MBTL1
SCHEMBL13729756 0.75 IDH1 (0.38) HTR1BHTR2BGPR65IDH1PDE2A

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 2 patents. 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
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CTSA 607/4885HTR1B 386/4885HTR2B 570/4885

“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.