SCHEMBL21241378

SCHEMBL21241378

CCC1CCC(C)(CN(C)Cc2ccc(C)cc2)CC(CC)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 9/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ PYCR1 P32322 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21241565 0.87 PYCR1 (0.39) CXCR3P2RX7PYCR1HDAC6HDAC3
SCHEMBL21241381 0.80 P2RX7 (0.52) CXCR3P2RX7PYCR1HDAC6HDAC3
SCHEMBL20683099 0.77 P2RX7 (0.52) CXCR3P2RX7PYCR1HDAC6HDAC3
SCHEMBL21241377 0.71 HDAC6 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL18088401 0.68 P2RX7 (0.75) CXCR3P2RX7PYCR1HDAC6HDAC3
SCHEMBL16327151 0.65 PYCR1 (0.50) CXCR3PYCR1CNR2NPSR1
SCHEMBL16312619 0.63 PYCR1 (0.65) PYCR1NPSR1
SCHEMBL21743358 0.63 HDAC6 (0.70) P2RX7HDAC6HDAC3HDAC4HDAC1
SCHEMBL7297585 0.62 PYCR1 (0.59) PYCR1CNR2NPSR1
SCHEMBL12144256 0.58 HRH3 (0.54) PYCR1HDAC1CNR2NPSR1

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-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography THE GENERAL HOSPITAL CORPORATION (US) 2020-11-24 — — US disclosed
US-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2019-08-08 — — 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-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 CXCR3 3531/4885P2RX7 4700/4885PYCR1 2968/4885
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 CXCR3 3531/4885P2RX7 4700/4885PYCR1 2968/4885

“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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