SCHEMBL25533005

SCHEMBL25533005

CCN1CCN(C(C)(C)C)CC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.54
RIPK1 Q13546 6/20 0.42
PRCP P42785 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL13093645 0.80 CHRNB2 (0.51) P2RX7RIPK1PRCPHRH3CHRNB2
SCHEMBL18950389 0.80 P2RX7 (0.53) P2RX7RIPK1PRCPCHRNB2CHRNB4
SCHEMBL20993582 0.80 HRH3 (0.42) P2RX7RIPK1HRH3CHRNB2CHRNB4
SCHEMBL1071984 0.79 P2RX7 (0.50) P2RX7RIPK1PRCPCHRNB2CHRNB4
Hydrochloric Acid SCHEMBL3670799 0.77 P2RX7 (0.51) P2RX7RIPK1PRCPCHRNA7DRD2
SCHEMBL20841306 0.76 P2RX7 (0.50) P2RX7RIPK1PRCPHRH3CHRNB2
SCHEMBL25530169 0.76 HRH3 (0.43) P2RX7RIPK1HRH3CHRNB2CHRNB4
SCHEMBL16474296 0.75 RIPK1 (0.53) P2RX7RIPK1PRCPCHRNB2CHRNB4
SCHEMBL13093649 0.74 POLB (0.55) P2RX7RIPK1HRH3NR1H2NR1H3
SCHEMBL18913873 0.74 P2RX7 (0.51) P2RX7RIPK1NR1H2NR1H3

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 P2RX7 2281/4885RIPK1 2036/4885PRCP 937/4885

“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.