SCHEMBL18953255

SCHEMBL18953255

O=C(Nc1cccc(Br)n1)C1COCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
CD274 Q9NZQ7 1/20 0.38
GRM5 P41594 1/20 0.38
CTSC P53634 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CFD P00746 7/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL18953253 1.00 HPGD (0.42) HPGDCD274GRM5CTSCSLC6A2
SCHEMBL18953247 0.85 HPGD (0.42) HPGDCD274GRM5CTSCALDH1A1
SCHEMBL18953248 0.85 HPGD (0.42) HPGDCD274GRM5CTSCALDH1A1
SCHEMBL29902300 0.84 HPGD (0.53) HPGDGRM5SLC6A2SLC6A4SLC6A3
SCHEMBL18591276 0.84 HPGD (0.53) HPGDGRM5SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL18555022 0.83 HPGD (0.51) HPGDGRM5SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29545627 0.83 HPGD (0.51) HPGDGRM5SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL18555021 0.83 HPGD (0.51) HPGDGRM5SLC6A2SLC6A4SLC6A3
SCHEMBL18953213 0.82 HPGD (0.40) HPGDCD274GRM5CDK5CFD
SCHEMBL18953214 0.82 HPGD (0.40) HPGDCD274GRM5CDK5CFD

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
US-20190127366-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-05-02 US disclosed
EP-3386504-A2 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2018-10-17 EP disclosed
WO-2017098328-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHAMACEUTICALS, INC. (BB) 2017-06-15 WO disclosed
WO-2017098328-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHAMACEUTICALS, INC. (BB) 2017-06-15 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 (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-20190127366-A1 THERAPEUTIC INHIBITORY COMPOUNDS CFD, CFH, C9 HPGD 647/4885CD274 827/4885GRM5 2416/4885

“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.