SCHEMBL6919840

SCHEMBL6919840

CCOC(=O)C(C)(F)Cn1c2c(c3cc(C)ccc31)C1CCC(C2)N1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.39
HSD17B10 Q99714 1/20 0.36
PNP P00491 1/20 0.34
MCHR1 Q99705 1/20 0.33
HTR3A P46098 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL15131754 0.90 HTR6 (0.39) HTR6HSD17B10PNPMCHR1
SCHEMBL15086098 0.84 HTR6 (0.37) HTR6HSD17B10PNPMCHR1HTR3A
SCHEMBL13394743 0.84 HSD17B10 (0.44) HTR6HSD17B10KDM4EKMT2A
SCHEMBL6921169 0.83 HTR6 (0.40) HTR6HSD17B10MCHR1KDM4E
SCHEMBL13394745 0.82 HTR6 (0.42) HTR6HSD17B10MCHR1KDM4E
SCHEMBL15131756 0.81 MCHR1 (0.43) HTR6PNPMCHR1
SCHEMBL15290458 0.79 HTR6 (0.40) HTR6HSD17B10MCHR1KDM4E
SCHEMBL13394868 0.79 HTR6 (0.44) HTR6HSD17B10MCHR1KDM4E
SCHEMBL6919573 0.79 HTR6 (0.39) HTR6MCHR1
SCHEMBL17230273 0.78 HTR6 (0.38) HTR6

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 7 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-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 22/4885HSD17B10 1840/4885PNP 4182/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885HSD17B10 1840/4885PNP 4182/4885

“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.