SCHEMBL19601697

SCHEMBL19601697

Cc1ccc(CN2CCCC23CCNCC3)c(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.41
FAAH O00519 1/20 0.40
HTR1A P08908 9/20 0.36
HTR3A P46098 9/20 0.36
HTR1D P28221 2/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR2B P41595 2/20 0.34
HTR6 P50406 2/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL19601714 0.89 MGLL (0.36) MGLLFAAHHTR1AHTR3A
SCHEMBL29417766 0.82 FAAH (0.58) MGLLFAAH
SCHEMBL19582416 0.82 FAAH (0.58) MGLLFAAH
SCHEMBL16744506 0.78 CXCR4 (0.48) HTR1AHTR3A
SCHEMBL19601696 0.77 MGLL (0.50) MGLLFAAH
SCHEMBL14356017 0.75 HTR1A (0.48) HTR1AHTR3A
SCHEMBL19601695 0.74 MGLL (0.68) MGLL
SCHEMBL19601740 0.74 MGLL (0.40) MGLLHTR2BHTR2C
SCHEMBL19601715 0.73 MGLL (0.67) MGLL
SCHEMBL19601704 0.73 MGLL (0.67) 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 42/4885HTR1A 4013/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 MGLL 24/4885FAAH 42/4885HTR1A 4013/4885

“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.