SCHEMBL12964153

SCHEMBL12964153

CCC(=O)NCc1cn(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTOR P42345 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
METTL3 Q86U44 1/20 0.37
SYK P43405 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL2937818 0.83 HPGDS (0.46) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL12332384 0.83 NPSR1 (0.49) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL12304215 0.83 HPGD (0.44) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL28712747 0.83 HPGD (0.44) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL12935908 0.79 HPGDS (0.44) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL16750102 0.79 HPGDS (0.44) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL13585244 0.78 CYP2C9 (0.40) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL13585249 0.78 CYP2C9 (0.40) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL19022013 0.77 CYP2C9 (0.43) HPGDSCYP2C9TSHRCYP2C19MTOR
SCHEMBL1769133 0.76 SLC1A1 (0.41) HPGDSCYP2C9TSHRCYP2C19MTOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 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-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME HPGDS 4651/4885CYP2C9 1830/4885TSHR 4794/4885

“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.