SCHEMBL757484

SCHEMBL757484

O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11901908 0.82 P2RX7 (0.53) P2RX7L3MBTL1GAAALDH1A1HTT
SCHEMBL758829 0.82 PSEN1 (0.52) P2RX7L3MBTL1GAAALDH1A1HTT
SCHEMBL11903014 0.76 PSEN1 (0.45) P2RX7L3MBTL1GAAALDH1A1HTT
SCHEMBL760522 0.75 PSEN1 (0.66) L3MBTL1GAAALDH1A1HTTTDP1
SCHEMBL24449294 0.73 P2RX7 (0.44) P2RX7SLC6A4SLC6A3LMNASMN1; SMN2
SCHEMBL436892 0.72 EPHX2 (0.52) P2RX7SLC6A4SLC6A3
SCHEMBL757203 0.71 SLC6A4 (0.74) SLC6A4SLC6A3
SCHEMBL14672141 0.71 HDAC4 (0.70) P2RX7ALDH1A1
SCHEMBL6973589 0.70 HDAC4 (0.74) L3MBTL1GAAALDH1A1HTTSMN1; SMN2
SCHEMBL14739140 0.69 HDAC4 (0.68) P2RX7GAAALDH1A1HTTSMN1; SMN2

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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 P2RX7 1301/4885L3MBTL1 3986/4885GAA 12/4885

“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.