SCHEMBL21241381

SCHEMBL21241381

CCC1CC2CC(C1)CC(C)(CN(C)Cc1ccc(C)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.52
▸ CXCR3 P49682 5/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ PYCR1 P32322 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.34
▸ CNR1 P21554 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21743358 0.81 HDAC6 (0.70) P2RX7HDAC6HDAC3HDAC4HDAC1
SCHEMBL21241378 0.80 CXCR3 (0.39) P2RX7CXCR3HDAC6HDAC3HDAC4
SCHEMBL18088401 0.79 P2RX7 (0.75) P2RX7CXCR3HDAC6HDAC3HDAC4
SCHEMBL22951073 0.78 HDAC6 (0.72) P2RX7HDAC6HDAC3HDAC4HDAC1
SCHEMBL24293737 0.77 HDAC6 (0.57) P2RX7HDAC6HDAC3HDAC4HDAC1
SCHEMBL20683099 0.76 P2RX7 (0.52) P2RX7CXCR3HDAC6HDAC3HDAC4
SCHEMBL24401124 0.68 HDAC6 (0.56) P2RX7HDAC6HDAC3HDAC4HDAC1
SCHEMBL21743518 0.68 HDAC6 (0.73) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL21241565 0.67 PYCR1 (0.39) P2RX7CXCR3HDAC6HDAC3HDAC4
SCHEMBL16312619 0.65 PYCR1 (0.65) PYCR1ALDH1A1

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 P2RX7 4700/4885CXCR3 3531/4885HDAC6 13/4885
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 P2RX7 4700/4885CXCR3 3531/4885HDAC6 13/4885

“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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