SCHEMBL6919689

SCHEMBL6919689

Cc1ccc2c(c1)c1c(n2CC(CC(=O)O)C(=O)N(C)C)CC2CCC1N2C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 2/20 0.35
AKR1B1 P15121 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL15086096 0.91 HTR6 (0.38) HTR6PTGDR2KDM4EL3MBTL1HSD17B10
SCHEMBL15087612 0.90 HSD17B10 (0.40) HTR6PTGDR2KDM4EHSD17B10KMT2A
SCHEMBL13394868 0.83 HTR6 (0.44) HTR6PTGDR2KDM4EL3MBTL1POLB
SCHEMBL18399378 0.82 HTR6 (0.37) HTR6PTGDR2KDM4EL3MBTL1POLB
SCHEMBL6919940 0.82 HTR6 (0.40) HTR6PTGDR2KDM4EL3MBTL1POLB
SCHEMBL6921538 0.82 HTR6 (0.40) HTR6PTGDR2KDM4EL3MBTL1POLB
SCHEMBL6920818 0.79 HTR6 (0.40) HTR6PTGDR2KDM4EL3MBTL1POLB
SCHEMBL6919703 0.79 HTR6 (0.39) HTR6PTGDR2KDM4EL3MBTL1POLB
SCHEMBL15290217 0.79 HTR6 (0.41) HTR6PTGDR2KDM4EL3MBTL1HSD17B10
SCHEMBL6919680 0.79 HTR6 (0.38) HTR6KDM4EL3MBTL1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO 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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885PTGDR2 114/4885KDM4E 2470/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885PTGDR2 114/4885KDM4E 2470/4885

“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.