SCHEMBL22951079

SCHEMBL22951079

C=Cc1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.68
▸ HDAC6 Q9UBN7 10/20 0.62
▸ HDAC5 Q9UQL6 6/20 0.62
▸ HDAC4 P56524 5/20 0.62
▸ HDAC3 O15379 5/20 0.62
▸ HDAC1 Q13547 5/20 0.62
▸ HDAC8 Q9BY41 4/20 0.62
▸ HDAC2 Q92769 3/20 0.62
▸ HDAC10 Q969S8 2/20 0.62
▸ CXCR3 P49682 3/20 0.50
▸ HDAC7 Q8WUI4 3/20 0.45
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ PYCR1 P32322 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL18088401 0.82 P2RX7 (0.75) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL19666011 0.79 HDAC6 (0.79) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL19666012 0.79 HDAC6 (0.79) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL18085887 0.78 P2RX7 (0.74) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL19678427 0.77 HDAC6 (1.00) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL16653780 0.77 HDAC6 (1.00) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL16653782 0.77 HDAC6 (1.00) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL19666006 0.77 HDAC6 (1.00) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL19666090 0.77 HDAC6 (1.00) P2RX7HDAC6HDAC5HDAC4HDAC3
SCHEMBL16653771 0.76 HDAC6 (0.78) P2RX7HDAC6HDAC5HDAC4HDAC3

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-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2021-02-04 — — 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-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 P2RX7 4700/4885HDAC6 13/4885HDAC5 9/4885

“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.

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