SCHEMBL19601658

SCHEMBL19601658

CC(=O)N1CCc2cccc(CC(C)C)c2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
BAZ2B Q9UIF8 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ACE P12821 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
PTAFR P25105 1/20 0.39
CREBBP Q92793 3/20 0.39
BRD4 O60885 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL19603149 0.86 NOTUM (0.59) NOTUMBAZ2BLMNAMAPTPTGDR2
SCHEMBL30261507 0.85 NOTUM (0.58) NOTUMBAZ2BLMNAMAPTPTGDR2
SCHEMBL22839791 0.83 NOTUM (0.56) NOTUMBAZ2BLMNAMAPTACE
SCHEMBL16154971 0.79 NOTUM (0.58) NOTUMBAZ2BLMNAMAPTACE
SCHEMBL14591318 0.78 NOTUM (0.65) NOTUMBAZ2BLMNAMAPTPTGDR2
SCHEMBL19601651 0.77 GABRA1 (0.40) HRH3GABRA1GABRB2MEN1KMT2A
SCHEMBL17197242 0.77 NOTUM (0.63) NOTUMBAZ2BLMNAMAPTPTGDR2
SCHEMBL19601645 0.76 CARM1 (0.45) MAPTPRMT5WDR77HRH3GABRA1
SCHEMBL19601647 0.76 PNMT (0.49) HRH3GABRA1GABRB2
SCHEMBL19601650 0.76 ESR1 (0.42) PTGDR2PRMT5WDR77HRH3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 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 (3 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 NOTUM 710/4885BAZ2B 3877/4885LMNA 2785/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 NOTUM 710/4885BAZ2B 3877/4885LMNA 2785/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 NOTUM 710/4885BAZ2B 3877/4885LMNA 2785/4885

“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.