SCHEMBL19601714

SCHEMBL19601714

Cc1ccc(CN2CCCC23CCNCC3)c(N2CCS(=O)(=O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.36
FAAH O00519 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTR1A P08908 6/20 0.33
HTR3A P46098 3/20 0.33
ADRA1B P35368 3/20 0.32
ADRA1A P35348 2/20 0.32
POLB P06746 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
SCHEMBL19601697 0.89 MGLL (0.41) MGLLFAAHHTR1AHTR3A
SCHEMBL19582724 0.85 FAAH (0.51) MGLLFAAH
SCHEMBL19601713 0.81 MGLL (0.47) MGLLFAAH
SCHEMBL19601753 0.79 MGLL (0.40) MGLL
SCHEMBL19601710 0.77 MGLL (0.64) MGLL
SCHEMBL19601960 0.77 MGLL (0.54) MGLL
SCHEMBL19582416 0.73 FAAH (0.58) MGLLFAAH
SCHEMBL29417766 0.73 FAAH (0.58) MGLLFAAH
SCHEMBL25802776 0.72 MGLL (0.51) MGLLKMT2AMEN1POLB
SCHEMBL19601740 0.71 MGLL (0.40) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 MGLL 24/4885FAAH 42/4885KMT2A 3691/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 MGLL 24/4885FAAH 42/4885KMT2A 3691/4885

“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.