SCHEMBL20132805

SCHEMBL20132805

COC(=O)c1cccc2c1CCC(C(=O)OC)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 2/20 0.44
HTR5A P47898 1/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TRPA1 O75762 4/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL20096625 0.89 EPHX2 (0.46) DRD2DRD4DRD3HTR5AMTNR1A
SCHEMBL7924693 0.82 CYP1A2 (0.46) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL6819517 0.82 MTNR1A (0.64) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL8074265 0.82 MTNR1A (0.64) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL20096622 0.82 CYP1A2 (0.46) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL29882799 0.77 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL4432302 0.77 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL27849729 0.77 TRPA1 (0.51) DRD2DRD4DRD3HTR5ATRPA1
SCHEMBL28546457 0.75 KMT2A (0.43) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL5835471 0.74 MTNR1A (0.64) DRD2DRD4DRD3MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345672-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2022-05-31 US disclosed
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2019-03-21 US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 US disclosed
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 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 (4 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-11345672-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 DRD2 4805/4885DRD4 4772/4885DRD3 4707/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 DRD2 4805/4885DRD4 4772/4885DRD3 4707/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 DRD2 4805/4885DRD4 4772/4885DRD3 4707/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 DRD2 4805/4885DRD4 4772/4885DRD3 4707/4885

“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.