SCHEMBL23745609

SCHEMBL23745609

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 6/20 0.37
OPRK1 P41145 6/20 0.37
OPRL1 P41146 6/20 0.37
HTR6 P50406 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HRH1 P35367 1/20 0.35
SLC6A2 P23975 1/20 0.33
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
SCHEMBL23745728 0.90 KDM4E (0.36) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23745521 0.90 OPRM1 (0.36) KDM4EMEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL23722086 0.90 KDM4E (0.36) KDM4EMEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL23722100 0.89 OPRM1 (0.37) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23722133 0.89 OPRM1 (0.35) KDM4EMEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL23722052 0.88 OPRM1 (0.36) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23722037 0.88 OPRM1 (0.35) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23745765 0.88 OPRM1 (0.36) KDM4EMEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL23721923 0.87 OPRM1 (0.37) KDM4EMEN1KMT2AOPRM1OPRK1
SCHEMBL23745448 0.84 KDM4E (0.47) KDM4EMEN1KMT2AMAPTALDH1A1

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.