SCHEMBL22904334

SCHEMBL22904334

Cc1cnc(CNCCCCN2C(=O)c3ccc(C)cc3C2=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
ACHE P22303 11/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL25459137 0.91 ACHE (0.55) ACHE
SCHEMBL2082535 0.72 L3MBTL1 (0.44)
SCHEMBL2084248 0.71 TP53 (0.38) CHRM2
SCHEMBL23398172 0.71 CXCR4 (0.42) CHRM2
SCHEMBL2665904 0.71 CHRM2 (0.64) CHRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4313288 0.71 ACHE (0.79) ACHE
SCHEMBL14944806 0.70 CHRM2 (0.56) CHRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14338933 0.69 CHRM2 (0.66) CHRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL24026634 0.67 CHRM2 (0.58) CHRM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13985121 0.67 ACHE (0.72) ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-20210017178-A1 Pan-Tropic Entry nhibitors UNIV EMORY (US) 2021-01-21 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 (2 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-11649235-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 CHRM2 3188/4885ACHE 3978/4885HDAC3 819/4885
US-20210017178-A1 Pan-Tropic Entry nhibitors CXCR4, CXCL12, CCR5 CHRM2 3276/4885ACHE 4502/4885HDAC3 280/4885

“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.