SCHEMBL23745765

SCHEMBL23745765

Cc1cccc(C(CCNCCCN)c2cn(C3CCCC3)c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.36
OPRL1 P41146 6/20 0.36
OPRK1 P41145 5/20 0.36
SLC6A2 P23975 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 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
HTR6 P50406 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL23722133 0.99 OPRM1 (0.35) OPRM1OPRL1OPRK1SLC6A2KDM4E
Hydrochloric Acid SCHEMBL23721923 0.99 OPRM1 (0.37) OPRM1OPRL1OPRK1SLC6A2KDM4E
Hydrochloric Acid SCHEMBL23722052 0.98 OPRM1 (0.36) OPRM1OPRL1OPRK1SLC6A2KDM4E
SCHEMBL23722037 0.96 OPRM1 (0.35) OPRM1OPRL1OPRK1SLC6A2KDM4E
SCHEMBL23745728 0.95 KDM4E (0.36) OPRM1OPRL1OPRK1SLC6A2KDM4E
Hydrochloric Acid SCHEMBL23722086 0.94 KDM4E (0.36) OPRM1OPRL1OPRK1SLC6A2KDM4E
SCHEMBL23745584 0.92 HTR6 (0.37) OPRM1OPRL1OPRK1MAPTDRD2
Hydrochloric Acid SCHEMBL23721961 0.91 HTR6 (0.37) OPRM1OPRL1OPRK1DRD2DRD4
SCHEMBL23721845 0.90 KDM4E (0.37) OPRM1OPRL1OPRK1SLC6A2KDM4E
SCHEMBL23745771 0.90 SLC6A2 (0.41) OPRM1SLC6A2KDM4EMAPTMEN1

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 OPRM1 1322/4885OPRL1 1831/4885OPRK1 2128/4885

“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.