SCHEMBL21397845

SCHEMBL21397845

CC1CC(C)N(C(C)C)C(=O)N(C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.32
PER2 O15055 1/20 0.31
KMT2A Q03164 2/20 0.30

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
SCHEMBL14554150 0.84 ACE (0.35) ACEKMT2A
SCHEMBL12648596 0.84 ACE (0.35) ACEKMT2A
SCHEMBL8633574 0.84 ACE (0.35) ACEKMT2A
SCHEMBL25995915 0.78 KMT2A (0.33) KMT2A
SCHEMBL24882685 0.71 ACE (0.38) ACE
SCHEMBL10308857 0.71 ACE (0.34) ACE
SCHEMBL8903612 0.70 KMT2A (0.38) ACEPER2KMT2A
SCHEMBL25668851 0.69 L3MBTL1 (0.36) KMT2A
SCHEMBL12594212 0.68 MAPT (0.37)
SCHEMBL6940554 0.68 MAPT (0.37)

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-10752605-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2020-08-25 US disclosed
US-20190292163-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME CORSAIR PHARMA INC (US) 2019-09-26 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-10752605-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 ACE 156/4885PER2 2591/4885KMT2A 3480/4885
US-20190292163-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 ACE 156/4885PER2 2591/4885KMT2A 3480/4885

“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.