SCHEMBL18355280

SCHEMBL18355280

CC(C)(C)OCc1cnccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
SYK P43405 3/20 0.34
GRM5 P41594 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
VNN1 O95497 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 2/20 0.31

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
SCHEMBL570248 0.77
SCHEMBL31415045 0.77
SCHEMBL5569539 0.73 GRM5 (0.36) KDM4ESYKGRM5GABRA1GABRG2
SCHEMBL9944264 0.73 SYK (0.46) KDM4ESYKALDH1A1SMN1; SMN2
SCHEMBL11397020 0.73 KDM4E (0.43) KDM4ESYKGRM5VNN1CYP2C9
SCHEMBL1912682 0.72 HDAC3 (0.38) KDM4EVNN1HSP90AA1CYP2C9CYP2C19
SCHEMBL403436 0.72
SCHEMBL13762103 0.72 CYP2C9 (0.34) KDM4ESYKGABRA1GABRG2GABRB3
SCHEMBL10849052 0.72 PSMB5 (0.40) KDM4ESYKGABRA1GABRG2GABRB3
SCHEMBL10212095 0.72 HRH3 (0.50) POLBALDH1A1SMN1; SMN2

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-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 KDM4E 1371/4885SYK 3776/4885GRM5 699/4885
US-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 KDM4E 2622/4885SYK 3065/4885GRM5 2915/4885

“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.