SCHEMBL830929

SCHEMBL830929

CCOCCN1CCC(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT1 Q99873 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 7/20 0.46
SIGMAR1 Q99720 3/20 0.46
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL20326014 0.94 HRH3 (0.50) CYP2D6CYP2C19KDM4ETDP1KMT2A
SCHEMBL21933658 0.94 SIGMAR1 (0.53) CARM1PRMT6PRMT1PRMT8KDM4E
SCHEMBL23267596 0.86 KDM4E (0.50) CARM1PRMT6PRMT1PRMT8KDM4E
SCHEMBL22924119 0.83 CYP2D6 (0.45) CYP2D6CYP2C19KDM4ETDP1KMT2A
SCHEMBL4893159 0.82 CYP2D6 (0.41) CYP2D6CYP2C19KDM4E
SCHEMBL11572427 0.82
SCHEMBL14451172 0.82 CYP2D6 (0.41) CYP2D6CYP2C19KDM4E
SCHEMBL22281941 0.82 CYP2D6 (0.48) CYP2D6CYP2C19KMT2AHRH3MAOB
SCHEMBL19446344 0.82 CYP2D6 (0.44) CYP2D6CYP2C19KDM4EHRH3SIGMAR1
SCHEMBL18539756 0.82 GNAI3 (0.56) CYP2D6CYP2C19HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 WO disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-06-07 US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-2284172-A1 Immunomodulating heterocyclic compounds MediGene Ltd. (GB) 2011-02-16 EP disclosed
EP-1603917-B1 IMMUNOMODULATING HETEROCYCLIC COMPOUNDS MEDIGENE LTD (GB) 2010-11-24 EP disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 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 (4 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-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP2D6 1426/4885CYP2C19 2643/4885CARM1 3231/4885
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD CYP2D6 2663/4885CYP2C19 4344/4885CARM1 3866/4885
US-20120142680-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD CYP2D6 2663/4885CYP2C19 4344/4885CARM1 3866/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP2D6 1426/4885CYP2C19 2643/4885CARM1 3231/4885

“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.