SCHEMBL19601740

SCHEMBL19601740

Cc1ccc(CN2CCCC23CCNCC3)c(OC2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
CYP2D6 P10635 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NMT1 P30419 1/20 0.32
HRH1 P35367 1/20 0.32
MCHR1 Q99705 2/20 0.32
ALK Q9UM73 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL19601753 0.89 MGLL (0.40) MGLLCYP2D6NMT1MCHR1HRH3
SCHEMBL19582413 0.86 MGLL (0.54) MGLL
SCHEMBL29417777 0.86 MGLL (0.54) MGLL
SCHEMBL19601738 0.81 MGLL (0.51) MGLL
SCHEMBL19601736 0.78 MGLL (0.68) MGLL
SCHEMBL25802843 0.78 MGLL (0.40) MGLL
SCHEMBL22446676 0.78 MGLL (0.59) MGLL
SCHEMBL19602008 0.77 MGLL (0.59) MGLL
SCHEMBL25802776 0.76 MGLL (0.51) MGLL
SCHEMBL19608846 0.75 MGLL (0.55) 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 24/4885CYP2D6 91/4885HTR2C 2887/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 MGLL 24/4885CYP2D6 91/4885HTR2C 2887/4885

“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.