SCHEMBL23745728

SCHEMBL23745728

Cc1cccc(C(CCNCCN)c2cn(C3CCCCC3)c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRM1 P35372 8/20 0.35
OPRL1 P41146 7/20 0.35
OPRK1 P41145 6/20 0.35
MAPT P10636 3/20 0.35
SLC6A2 P23975 2/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CCR5 P51681 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
Hydrochloric Acid SCHEMBL23722086 0.99 KDM4E (0.36) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL23722133 0.96 OPRM1 (0.35) KDM4EMEN1KMT2AOPRM1OPRL1
Hydrochloric Acid SCHEMBL23722052 0.95 OPRM1 (0.36) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL23722037 0.95 OPRM1 (0.35) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL23745765 0.95 OPRM1 (0.36) KDM4EMEN1KMT2AOPRM1OPRL1
Hydrochloric Acid SCHEMBL23721923 0.95 OPRM1 (0.37) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL23721845 0.91 KDM4E (0.37) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL23745771 0.91 SLC6A2 (0.41) KDM4EMEN1KMT2AOPRM1MAPT
SCHEMBL23745609 0.90 KDM4E (0.40) KDM4EMEN1KMT2AOPRM1OPRL1
SCHEMBL23745537 0.90 KDM4E (0.35) KDM4EMEN1KMT2AOPRM1OPRL1

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 KDM4E 4474/4885MEN1 894/4885KMT2A 4684/4885

“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.