SCHEMBL23745544

SCHEMBL23745544

Cc1cccc(C(CCN[C@H]2CC[C@H](N)CC2)c2cn(CC3CCCCC3)c3ccc([N+](=O)[O-])cc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNB4 O00305 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNG3 O60359 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNB3 P54284 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNG7 P62955 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNG1 Q06432 1/20 0.34
CACNB2 Q08289 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
CACNA1E Q15878 1/20 0.34

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 SCHEMBL23722042 0.99 CNR2 (0.35) CNR2CNR1TDP1CACNB4CACNA1A
SCHEMBL23745637 0.91 SOS1 (0.41) CNR2CNR1TDP1CACNB4CACNA1A
Hydrochloric Acid SCHEMBL23722051 0.90 SOS1 (0.40) CNR2CNR1TDP1CACNB4CACNA1A
SCHEMBL23745654 0.89 KMT2A (0.36) CNR2CNR1CACNB4CACNA1ACACNA1G
Hydrochloric Acid SCHEMBL23722005 0.88 KMT2A (0.36) CNR2CNR1CACNB4CACNA1ACACNA1G
Hydrochloric Acid SCHEMBL23722006 0.88 KMT2A (0.36) CNR2CNR1CACNB4CACNA1ACACNA1G
SCHEMBL23745593 0.88 CNR1 (0.34) CNR2CNR1ICMTMPO
SCHEMBL23745691 0.88 CNR1 (0.38) CNR1ICMTKMT2AMAPTMEN1
SCHEMBL23745852 0.88 CNR1 (0.38) CNR1ICMTKMT2AMAPTMEN1
SCHEMBL23745690 0.88 CNR1 (0.38) CNR1ICMTKMT2AMAPTMEN1

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 CNR2 2528/4885CNR1 1651/4885TDP1 4283/4885

“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.