SCHEMBL22007196

SCHEMBL22007196

CC(C)N1CCC(N(C)S)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.36
KCNH2 Q12809 1/20 0.33
PGR P06401 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL12205472 0.83 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL2737213 0.83 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL2737220 0.83 HRH3 (0.38) HRH3KCNH2PGR
SCHEMBL18347918 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL20676134 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL18068287 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL17067977 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL12386638 0.79 HRH3 (0.36) HRH3KCNH2PGR
SCHEMBL24316258 0.77 HRH3 (0.35) HRH3KCNH2PGR
SCHEMBL20906895 0.76 HRH3 (0.38) HRH3KCNH2PGR

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-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 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-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA HRH3 2389/4885KCNH2 4077/4885PGR 404/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 HRH3 2294/4885KCNH2 4499/4885PGR 410/4885

“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.