SCHEMBL21241565

SCHEMBL21241565

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ CXCR3 P49682 10/20 0.37
▸ CNR2 P34972 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC5 Q9UQL6 1/20 0.30
▸ C5AR1 P21730 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
SCHEMBL21241378 0.87 CXCR3 (0.39) PYCR1P2RX7CXCR3CNR2HDAC6
SCHEMBL21241377 0.69 HDAC6 (0.59) SMN1; SMN2HDAC6HDAC1HDAC3HDAC4
SCHEMBL21241381 0.67 P2RX7 (0.52) PYCR1P2RX7CXCR3CNR2HDAC6
SCHEMBL17193942 0.65 PYCR1 (0.62) PYCR1CNR2KDM4EMEN1KMT2A
SCHEMBL20683099 0.64 P2RX7 (0.52) PYCR1P2RX7CXCR3CNR2HDAC6
SCHEMBL14866644 0.62 PYCR1 (0.50) PYCR1P2RX7CXCR3CNR2KDM4E
SCHEMBL23340471 0.61 MCOLN3 (0.39) MEN1KMT2A
SCHEMBL16980543 0.61 PYCR1 (0.61) PYCR1CNR2KDM4EMEN1KMT2A
SCHEMBL16980545 0.61 PYCR1 (0.61) PYCR1CNR2KDM4EMEN1KMT2A
SCHEMBL6894409 0.60 HRH3 (0.58) PYCR1CNR2KDM4EMEN1KMT2A

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 PYCR1 2968/4885P2RX7 4700/4885CXCR3 3531/4885
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 PYCR1 2968/4885P2RX7 4700/4885CXCR3 3531/4885

“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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