SCHEMBL19614564

SCHEMBL19614564

FC1CN(c2ccccc2C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.48
KMT2A Q03164 2/20 0.47
AKR1C3 P42330 1/20 0.44
RBP4 P02753 3/20 0.44
TTR P02766 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD11B1 P28845 3/20 0.40
GAA P10253 2/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL19527588 0.83 AKR1C3 (0.47) NOTUMKMT2AAKR1C3RBP4TTR
SCHEMBL23744698 0.80 RBP4 (0.44) KMT2AAKR1C3RBP4TTRTDP1
SCHEMBL30345809 0.80 RBP4 (0.44) KMT2AAKR1C3RBP4TTRTDP1
SCHEMBL23744701 0.80 RBP4 (0.44) KMT2AAKR1C3RBP4TTRTDP1
SCHEMBL30345707 0.80 RBP4 (0.44) KMT2AAKR1C3RBP4TTRTDP1
SCHEMBL22765834 0.80 HSD11B1 (0.46) KMT2AAKR1C3RBP4TTRTDP1
SCHEMBL10128510 0.79 BPTF (0.51) KMT2AAKR1C3RBP4HSD11B1
SCHEMBL17515577 0.79 BPTF (0.51) KMT2AAKR1C3RBP4HSD11B1
SCHEMBL4792071 0.78 AKR1C3 (0.51) KMT2AAKR1C3RBP4TTRTDP1
Hydrochloric Acid SCHEMBL1394230 0.78 BPTF (0.50) KMT2AAKR1C3RBP4HSD11B1

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-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 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-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 NOTUM 3165/4885KMT2A 1058/4885AKR1C3 1073/4885

“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.