SCHEMBL25554371

SCHEMBL25554371

CC(=O)NCCNCCNC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ADRA1A P35348 1/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
F13A1 P00488 1/20 0.33
CNR1 P21554 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
CA3 P07451 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
USP2 O75604 1/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL2390501 0.93 KDM4E (0.50) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL21106556 0.88 KDM4E (0.59) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL22802988 0.88 KDM4E (0.54) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL21106829 0.85 MEN1 (0.44) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL24811379 0.84 MEN1 (0.47) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL12407913 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL6130978 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL13398529 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL21089233 0.83 KDM4E (0.60) PAOXKDM4EMAPK1HIF1ATSHR
SCHEMBL25477591 0.82 PAOX (0.60) PAOXKDM4EMAPK1HIF1ATSHR

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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR PAOX 1365/4885KDM4E 4704/4885MAPK1 3338/4885

“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.