SCHEMBL19006345

SCHEMBL19006345

COC(=O)C(C)(C)Cn1cc(C)nn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DYRK1A Q13627 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
P2RX3 P56373 5/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 2/20 0.30
GPR88 Q9GZN0 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
NPC1 O15118 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
SCHEMBL19006343 0.86 ALDH1A1 (0.38) TSHRMAPK1CCNE1CDK2ALDH1A1
SCHEMBL18999238 0.83 HRH4 (0.37) TSHRMAPK1L3MBTL1DYRK1AGPR88
SCHEMBL19006346 0.82 GGPS1 (0.38) TSHRMAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL19006403 0.77 TSHR (0.35) TSHRMAPK1L3MBTL1MEN1OPRM1
SCHEMBL20915722 0.74 NR1H4 (0.34) TSHRMAPK1L3MBTL1NR1H4
SCHEMBL12092341 0.74 DPP4 (0.36)
SCHEMBL15495578 0.73 KDM4E (0.41) TSHRMAPK1ALDH1A1LMNAKMT2A
SCHEMBL18377936 0.73 NPC1 (0.42) MAPK1L3MBTL1CCNE1CDK2ALDH1A1
SCHEMBL20915833 0.73 HSP90AA1 (0.37) NR1H4
SCHEMBL20915838 0.73 NLRP3 (0.38) MEN1KMT2ANR1H4NPC1

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
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO 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 (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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A TSHR 379/4885MAPK1 1148/4885L3MBTL1 3681/4885

“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.