SCHEMBL23745771

SCHEMBL23745771

CNCCCNCCC(c1cccc(C)c1)c1cn(C2CCCCC2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33

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
Hydrochloric Acid SCHEMBL23722129 0.99 SLC6A2 (0.40) SLC6A2SLC6A4KDM4EHTR2AHRH1
SCHEMBL23722133 0.91 OPRM1 (0.35) SLC6A2KDM4EMAPTMEN1KMT2A
SCHEMBL23721845 0.91 KDM4E (0.37) SLC6A2KDM4EMAPTMEN1KMT2A
SCHEMBL23745728 0.91 KDM4E (0.36) SLC6A2KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23722052 0.90 OPRM1 (0.36) SLC6A2KDM4EMAPTMEN1KMT2A
SCHEMBL23722037 0.90 OPRM1 (0.35) SLC6A2KDM4EMAPTMEN1KMT2A
SCHEMBL23745765 0.90 OPRM1 (0.36) SLC6A2KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23722086 0.90 KDM4E (0.36) SLC6A2KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23721923 0.89 OPRM1 (0.37) SLC6A2KDM4EMAPTMEN1KMT2A
SCHEMBL23722071 0.89 OPRM1 (0.41) KDM4EALDH1A1CYP3A4DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 SLC6A2 4506/4885SLC6A4 4834/4885KDM4E 4474/4885

“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.