SCHEMBL22752247

SCHEMBL22752247

CC(C)(C)CN1CC2(CCNC2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
CYP2D6 P10635 7/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP1A2 P05177 1/20 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
SCHEMBL22752339 0.87 TSHR (0.65) TSHRCYP2D6KDM1AMAOBRCOR1
SCHEMBL15112737 0.84 TSHR (0.53) TSHRCYP2D6PDCD1LG2CD274CYP3A4
SCHEMBL21499005 0.84 TSHR (0.36) TSHR
SCHEMBL2695825 0.83 TSHR (0.54) TSHRCYP2D6KDM1AMAOBRCOR1
SCHEMBL10201657 0.79 TSHR (0.50) TSHRCYP2D6KDM1AMAOBRCOR1
SCHEMBL4070889 0.78 TSHR (0.72) TSHRCYP2D6KDM1AMAOBRCOR1
SCHEMBL31097584 0.77 CYP2D6 (0.51) TSHRCYP2D6KDM1AMAOBRCOR1
SCHEMBL20314488 0.76
SCHEMBL10201616 0.74 TSHR (0.46) TSHRCYP2D6KDM1AMAOBRCOR1
SCHEMBL38660393 0.74 TSHR (0.41) TSHRCYP2D6KDM1AMAOBRCOR1

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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B TSHR 4555/4885CYP2D6 84/4885KDM1A 1691/4885

“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.