Sugi Predict

Sugi Predict / Compounds / SCHEMBL19601665

SCHEMBL19601665

SCHEMBL19601665

CC(C)Cc1ccc2c(c1)COC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ CXCR1 P25024 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ ADRB3 P13945 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
SCHEMBL24253567 0.86 GABRA1 (0.39) GABRA1GABRB2ALDH1A1TSHREPHX1
SCHEMBL24253497 0.86 GABRA1 (0.39) GABRA1GABRB2ALDH1A1TSHRTAAR1
SCHEMBL16245889 0.83 GABRA1 (0.37) GABRA1GABRB2ALDH1A1TSHRBACE1
SCHEMBL27400220 0.80 TSHR (0.38) GABRA1GABRB2ALDH1A1TSHRCYP2C9
SCHEMBL16245884 0.78 GABRA1 (0.44) GABRA1GABRB2ALDH1A1LMNAMAPT
SCHEMBL23420944 0.78 ALDH1A1 (0.42) GABRA1GABRB2ALDH1A1TSHRTAAR1
SCHEMBL12240635 0.78 TRPA1 (0.40) ALDH1A1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL18648047 0.78 TAAR1 (0.47) GABRA1GABRB2TAAR1SLC6A2SLC6A4
SCHEMBL25839246 0.78 TAAR1 (0.47) GABRA1GABRB2TAAR1SLC6A2SLC6A4
SCHEMBL12312547 0.77 SLC2A1 (0.38) ALDH1A1TSHRMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455226-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-12-30 — — EP disclosed
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 GABRA1 4077/4885GABRB2 4341/4885ALDH1A1 932/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 GABRA1 4077/4885GABRB2 4341/4885ALDH1A1 932/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 GABRA1 4077/4885GABRB2 4341/4885ALDH1A1 932/4885

“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.