SCHEMBL19601647

SCHEMBL19601647

CCN1CCc2cccc(CC(C)C)c2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.49
HRH3 Q9Y5N1 2/20 0.47
CARM1 Q86X55 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CD44 P16070 1/20 0.38

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
SCHEMBL19601645 0.88 CARM1 (0.45) HRH3CARM1GABRA1GABRB2CD44
SCHEMBL19603144 0.84 PNMT (0.54) PNMTHRH3DRD2DRD1CD44
SCHEMBL19603210 0.82 PNMT (0.51) PNMTHRH3CD44
SCHEMBL19601651 0.81 GABRA1 (0.40) HRH3GABRA1GABRB2
SCHEMBL19603143 0.79 CARM1 (0.45) PNMTHRH3CARM1CD44
SCHEMBL16154962 0.79 PNMT (0.51) PNMTHRH3CARM1DRD2DRD1
SCHEMBL19601644 0.77 OPRM1 (0.38) GABRA1GABRB2
SCHEMBL6369549 0.76 PNMT (0.55) PNMTHRH3DRD2DRD1CD44
SCHEMBL19601658 0.76 NOTUM (0.54) HRH3GABRA1GABRB2
SCHEMBL19601650 0.76 ESR1 (0.42) HRH3GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
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
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 (3 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 PNMT 3316/4885HRH3 3121/4885CARM1 4232/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 PNMT 3316/4885HRH3 3121/4885CARM1 4232/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 PNMT 3316/4885HRH3 3121/4885CARM1 4232/4885

“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.