SCHEMBL19601753

SCHEMBL19601753

Cc1ccc(CN2CCCC23CCNCC3)c(OC2CCS(=O)(=O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.40
MCHR1 Q99705 2/20 0.32
CYP2D6 P10635 2/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
METAP2 P50579 1/20 0.31
BRD4 O60885 1/20 0.31
NMT1 P30419 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19601740 0.89 MGLL (0.40) MGLLMCHR1CYP2D6HRH3METAP2
SCHEMBL19608846 0.86 MGLL (0.55) MGLL
SCHEMBL19601745 0.80 MGLL (0.66) MGLL
SCHEMBL19602016 0.79 MGLL (0.57) MGLL
SCHEMBL19601714 0.79 MGLL (0.36) MGLL
SCHEMBL22446669 0.77 MGLL (0.57) MGLL
SCHEMBL19582413 0.76 MGLL (0.54) MGLLALDH1A1
SCHEMBL25802776 0.76 MGLL (0.51) MGLLALDH1A1
SCHEMBL25802843 0.75 MGLL (0.40) MGLLALDH1A1
SCHEMBL19601738 0.73 MGLL (0.51) 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 24/4885MCHR1 2046/4885CYP2D6 91/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 MGLL 24/4885MCHR1 2046/4885CYP2D6 91/4885

“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.