SCHEMBL19601738

SCHEMBL19601738

Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)(C)C)CC3)c(OC2CCN(C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.51
KDM1A O60341 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL29417744 0.89 MGLL (0.65) MGLL
SCHEMBL19582466 0.89 MGLL (0.65) MGLL
SCHEMBL19601736 0.87 MGLL (0.68) MGLL
SCHEMBL19602008 0.86 MGLL (0.59) MGLL
SCHEMBL25802839 0.84 MGLL (0.47) MGLL
SCHEMBL25802771 0.82 MGLL (0.51) MGLL
SCHEMBL19601744 0.81 MGLL (0.45) MGLL
SCHEMBL19601739 0.81 MGLL (0.50) MGLL
SCHEMBL25802838 0.81 MGLL (0.43) MGLL
SCHEMBL19601740 0.81 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 24/4885KDM1A 4388/4885PDE4A 458/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 MGLL 24/4885KDM1A 4388/4885PDE4A 458/4885

“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.