SCHEMBL19006346

SCHEMBL19006346

CCc1cn(CC(C)(C)C(=O)OC)nn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 5/20 0.34
NPC1 O15118 2/20 0.34
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
DGAT1 O75907 1/20 0.32
APP P05067 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
SCHEMBL19006345 0.82 TSHR (0.34) TSHRMAPK1L3MBTL1NPC1ALDH1A1
SCHEMBL18999238 0.81 HRH4 (0.37) TSHRMAPK1L3MBTL1HDAC1CYP2C19
SCHEMBL19006404 0.80 TSHR (0.38) TSHRMAPK1L3MBTL1NPC1CYP1A2
SCHEMBL12196326 0.76 GGPS1 (0.39) GGPS1L3MBTL1
SCHEMBL8976563 0.75 MAPK1 (0.39) TSHRMAPK1HDAC1NPC1KMT2A
SCHEMBL18136576 0.75 ALOX5 (0.35) GGPS1ALOX5
SCHEMBL18377722 0.75 NPC1 (0.46) GGPS1MAPK1HDAC1NPC1ALOX5
SCHEMBL19708375 0.73 GGPS1 (0.34) GGPS1ALOX5
SCHEMBL20915722 0.72 NR1H4 (0.34) GGPS1TSHRMAPK1L3MBTL1HDAC1
SCHEMBL19006343 0.72 ALDH1A1 (0.38) TSHRMAPK1NPC1ALDH1A1CYP1A2

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-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A GGPS1 202/4885TSHR 379/4885MAPK1 1148/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A GGPS1 202/4885TSHR 379/4885MAPK1 1148/4885

“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.