SCHEMBL16640381

SCHEMBL16640381

Fc1cccc(-c2cnccn2)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
PIM1 P11309 1/20 0.46
P2RX7 Q99572 2/20 0.41
TERT O14746 2/20 0.41
CASP6 P55212 1/20 0.40
PIEZO1 Q92508 1/20 0.39
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
ADRA1D P25100 1/20 0.38
NPC1 O15118 2/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC4 P56524 1/20 0.37
BCAT1 P54687 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL31140243 0.85 ALOX5AP (0.55) ALOX5APFEN1PIM1TERTCASP6
SCHEMBL16640380 0.85 ALOX5AP (0.55) ALOX5APFEN1PIM1TERTCASP6
SCHEMBL27752919 0.83 ALOX5AP (0.44) ALOX5APFEN1PIM1P2RX7TERT
SCHEMBL31444423 0.82 ALOX5AP (0.45) ALOX5APFEN1PIM1P2RX7TERT
SCHEMBL30719203 0.78 HTT (0.41) ALOX5APFEN1PIM1CASP6BCAT1
SCHEMBL30888806 0.77 KDM4E (0.50) NPC1PKMRAB9AALDH1A1SMN1; SMN2
SCHEMBL970044 0.77 KDM4E (0.50) NPC1PKMRAB9AALDH1A1SMN1; SMN2
SCHEMBL12853973 0.76 ALOX5AP (0.50) ALOX5APFEN1PIM1CASP6ADRA1A
SCHEMBL12853984 0.76 ALOX5AP (0.50) ALOX5APFEN1PIM1CASP6ADRA1A
SCHEMBL29986122 0.76 KDM4E (0.48) NPC1PKMRAB9AALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535160-B Heterocyclic compound, and organic electroluminescent device and organic electroluminescent display device comprising same 三星显示有限公司 2023-04-14 CN disclosed
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 WO disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 ALOX5AP 1864/4885FEN1 3809/4885PIM1 2313/4885

“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.