SCHEMBL760504

SCHEMBL760504

CC(C)(C)[S+]([O-])NC1COc2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.39
TERT O14746 1/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
RIPK1 Q13546 4/20 0.32
PNMT P11086 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
P2RX7 Q99572 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL31136214 0.79 HCRTR2 (0.44) HCRTR2TERTCHRNB2CHRNA4CHRNB4
SCHEMBL31554158 0.78 P2RX7 (0.30) P2RX7
SCHEMBL31590990 0.78 PDE2A (0.45) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL31137068 0.75 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL14829890 0.75 KDM1A (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL14829889 0.75 KDM1A (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL31554195 0.73
SCHEMBL26962628 0.72 TRPV1 (0.40) P2RX7TRPV1
SCHEMBL27133701 0.72 TRPV1 (0.40) P2RX7TRPV1
SCHEMBL27133700 0.72 TRPV1 (0.40) P2RX7TRPV1

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
EP-2491026-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-08-29 EP disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 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 (2 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP HCRTR2 2405/4885TERT 2150/4885CHRNB2 89/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 HCRTR2 2994/4885TERT 2040/4885CHRNB2 143/4885

“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.