SCHEMBL21482089

SCHEMBL21482089

COC(=O)NCCC1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
PRMT3 O60678 2/20 0.39
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SMYD3 Q9H7B4 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
APOB P04114 1/20 0.33
MTTP P55157 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMT5A Q9NQR1 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8397010 0.91 EPHX1 (0.45) EPHX1HRH4HRH3TDP1SIGMAR1
SCHEMBL4437804 0.85 EPHX1 (0.49) EPHX1PRMT3TDP1
SCHEMBL4437802 0.85 EPHX1 (0.49) EPHX1PRMT3TDP1
SCHEMBL8391372 0.83 EPHX1 (0.53) EPHX1HRH4HRH3SIGMAR1NPC1
SCHEMBL8393398 0.83 EPHX1 (0.49) EPHX1HRH4HRH3SIGMAR1TPSAB1
SCHEMBL8391889 0.81 EPHX1 (0.56) EPHX1HRH4HRH3SIGMAR1NPC1
SCHEMBL8396101 0.81 EPHX1 (0.56) EPHX1HRH4HRH3SIGMAR1NPC1
SCHEMBL23826211 0.79 PRMT3 (0.41) EPHX1PRMT3SMYD3TDP1NPC1
SCHEMBL4439406 0.79 PRMT3 (0.41) EPHX1PRMT3SMYD3TDP1NPC1
SCHEMBL8396346 0.79 EPHX1 (0.52) EPHX1HRH4HRH3TDP1SIGMAR1

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-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 US disclosed
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2019-10-17 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-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 EPHX1 210/4885PRMT3 557/4885HRH4 114/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 EPHX1 210/4885PRMT3 557/4885HRH4 114/4885

“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.