SCHEMBL20175823

SCHEMBL20175823

C=C(N1CCN(C)CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MGLL Q99685 2/20 0.38
PHGDH O43175 1/20 0.38
HTR1A P08908 1/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL19961008 0.78 CYP1A2 (0.42) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL18288356 0.77 ALDH1A1 (0.38) CYP1A2MGLLNPSR1LMNAHPGD
SCHEMBL18288361 0.76
SCHEMBL26203591 0.76 HRH3 (0.43) ALDH1A1EPHX2
SCHEMBL22368188 0.75 ALDH1A1 (0.42) CYP1A2MGLLPHGDHHPGDALOX15
SCHEMBL18602166 0.73 PHGDH (0.42) CYP1A2MGLLPHGDHLMNAHPGD
SCHEMBL19016181 0.72 CYP1A2 (0.46) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL6840170 0.71 CYP1A2 (0.52) CYP1A2TDP1HTR1ACHRM1CHRM4
SCHEMBL19464836 0.71 CYP1A2 (0.41) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL29322932 0.71 CA2 (0.41) HPGD

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-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 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-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME RFC3, RFC2, RFC1 CYP1A2 1753/4885TDP1 2264/4885MGLL 2007/4885

“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.