SCHEMBL20028385

SCHEMBL20028385

CCCN(C)CCCOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
GGPS1 O95749 1/20 0.31
FDPS P14324 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.31
PDE3A Q14432 1/20 0.31
CHRM2 P08172 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
SCHEMBL12788323 0.86 HTR1D (0.36) HTR1DHTR1B
SCHEMBL15510946 0.84 KDM5A (0.31) KDM5AKDM4C
SCHEMBL13801838 0.80 FDPS (0.35) FDPSCHRM2
SCHEMBL23396341 0.78 KDM5A (0.33) KDM5AKDM4CCHRM2
SCHEMBL26004844 0.77 KDM4E (0.32) HTR1DHTR1BFDPSOPRM1CHRM2
SCHEMBL12380889 0.77 CHRM2 (0.33) KDM5AKDM4CCHRM2
SCHEMBL1106440 0.77 ALDH1A1 (0.43) HTR1B
SCHEMBL26786815 0.76 GNAI3 (0.40) SIGMAR1
SCHEMBL21335502 0.76 CA12 (0.33)
SCHEMBL20314557 0.75

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
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO 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-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF HTR1D 3669/4885HTR1B 4423/4885SIGMAR1 2385/4885

“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.