SCHEMBL23928196

SCHEMBL23928196

O=C(O)NCCc1ccc(OCCN2CC(F)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LTA4H P09960 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KDM1A O60341 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ACACB O00763 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL23928246 0.89 KDM4E (0.50) MC4RHRH3LTA4HKDM4E
SCHEMBL23291310 0.85 MC4R (0.48) MC4RMEN1KMT2AHRH3LTA4H
SCHEMBL23291166 0.84 CA2 (0.52) MC4RHRH3ACACB
SCHEMBL23928153 0.84 LTA4H (0.64) HRH3LTA4HKDM4E
SCHEMBL23928172 0.82 LTA4H (0.63) HRH3LTA4HKDM4E
SCHEMBL23928236 0.82 LTA4H (0.63) HRH3LTA4HKDM4E
SCHEMBL23291236 0.81 LTA4H (0.59) MEN1KMT2ALTA4HKDM4ERAB9A
SCHEMBL23928237 0.81 HRH3 (0.50) MC4RMEN1KMT2AHRH3LTA4H
SCHEMBL25378439 0.81 KDM1A (0.56) HRH3LTA4HSMN1; SMN2KDM4EKDM1A
SCHEMBL23928240 0.81 LTA4H (0.60) MEN1KMT2AHRH3LTA4HSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 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 (2 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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 MC4R 481/4885MEN1 1329/4885KMT2A 1530/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 MC4R 481/4885MEN1 1329/4885KMT2A 1530/4885

“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.