SCHEMBL19006404

SCHEMBL19006404

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
APP P05067 2/20 0.33
MIF P14174 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19006346 0.80 GGPS1 (0.38) TSHRMAPK1L3MBTL1NPC1CYP1A2
SCHEMBL19006403 0.78 TSHR (0.35) TSHRMAPK1L3MBTL1NPC1CYP2C19
SCHEMBL18999237 0.77 KDM4E (0.34) TSHRMAPK1L3MBTL1CYP2C19
SCHEMBL20670622 0.75 GGPS1 (0.31)
SCHEMBL31124038 0.75 L3MBTL1 (0.33) TSHRMAPK1L3MBTL1NPC1CA12
SCHEMBL11955225 0.75 GABRA2 (0.31)
SCHEMBL30757754 0.75 MTNR1A (0.40) NPC1APP
SCHEMBL19663610 0.72 HDAC8 (0.41) L3MBTL1NPC1CA12CA1CA2
SCHEMBL24917460 0.72 ALDH1A1 (0.30) TSHR
SCHEMBL21573091 0.72

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 TSHR 379/4885MAPK1 1148/4885L3MBTL1 3681/4885
US-10030027-B2 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.