SCHEMBL6828090

SCHEMBL6828090

O=C1CC2(CCNCC2)Oc2ccc(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.57
HDAC4 P56524 7/20 0.57
HDAC1 Q13547 7/20 0.57
HDAC7 Q8WUI4 7/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC10 Q969S8 7/20 0.57
HDAC11 Q96DB2 7/20 0.57
HDAC8 Q9BY41 7/20 0.57
HDAC6 Q9UBN7 7/20 0.57
HDAC9 Q9UKV0 7/20 0.57
HDAC5 Q9UQL6 7/20 0.57
HSD11B1 P28845 1/20 0.55
KDM4E B2RXH2 2/20 0.52
ATM Q13315 2/20 0.51
HTT P42858 1/20 0.51
HTR2A P28223 1/20 0.48
MAPT P10636 1/20 0.47
HTR2C P28335 2/20 0.45
KCNH2 Q12809 1/20 0.44
CHRNA7 P36544 1/20 0.42

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
Hydrochloric Acid SCHEMBL3491077 0.99 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12030815 0.95 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL537621 0.89 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL537822 0.87 HDAC8 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6561130 0.87 KDM4E (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL620087 0.87 KDM4E (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4265245 0.86 HDAC8 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23957160 0.85 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6560495 0.85 KDM4E (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30094698 0.85 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403579-A Novel spiro derivative and application thereof 上海拓界生物医药科技有限公司 2022-11-29 CN disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
EP-2675812-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-25 EP disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
WO-2012112743-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 WO disclosed
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 US disclosed
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 US disclosed
WO-2010027567-A2 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-03-11 WO disclosed
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 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 (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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 HDAC3 170/4885HDAC4 238/4885HDAC1 257/4885
US-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 HDAC3 120/4885HDAC4 914/4885HDAC1 313/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 HDAC3 170/4885HDAC4 238/4885HDAC1 257/4885
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 HDAC3 62/4885HDAC4 348/4885HDAC1 272/4885

“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.