Sugi Predict

Sugi Predict / Compounds / SCHEMBL1689626

SCHEMBL1689626

SCHEMBL1689626

CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ AVPR1A P37288 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.44
▸ GPR119 Q8TDV5 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ NR1H2 P55055 3/20 0.41
▸ RXRA P19793 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL29644487 1.00 MAPK1 (0.51) MAPK1HDAC1HDAC8HDAC6AVPR1A
SCHEMBL16086529 0.93 USP30 (0.50) MAPK1HDAC1HDAC8HDAC6AVPR1A
SCHEMBL16086784 0.93 USP30 (0.50) MAPK1HDAC1HDAC8HDAC6AVPR1A
SCHEMBL16086372 0.93 USP30 (0.50) MAPK1HDAC1HDAC8HDAC6AVPR1A
SCHEMBL13563952 0.87 MAPK1 (0.50) MAPK1HDAC1HDAC8HDAC6AVPR1A
SCHEMBL2975481 0.87 MAPK1 (0.54) MAPK1HDAC1HDAC8HDAC6USP30
SCHEMBL4137234 0.86 MAPK1 (0.47) MAPK1HDAC1HDAC8HDAC6AVPR1A
SCHEMBL12715964 0.86 AVPR1A (0.50) MAPK1HDAC1AVPR1ATSHR
SCHEMBL1995317 0.84 NAMPT (0.45) GPR119POLB
SCHEMBL12715817 0.84 AVPR1A (0.51) AVPR1ATSHR

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 — — US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 — — EP disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 — — US disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 — — WO disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 — — EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 — — US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 — — US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 — — EP disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 — — US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 — — US disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 — — EP disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 — — EP disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 — — US disclosed
US-20070135408-A1 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. 2007-06-14 — — US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 — — WO disclosed
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 — — EP disclosed
US-20060106045-A1 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2006-05-18 — — US disclosed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 — — WO disclosed
EP-1515969-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES Syngenta Limited (GB) 2005-03-23 — — EP disclosed
WO-2003106457-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2003-12-24 — — WO 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 (8 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL MAPK1 2772/4885HDAC1 885/4885HDAC8 2130/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 MAPK1 2614/4885HDAC1 42/4885HDAC8 16/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 MAPK1 2520/4885HDAC1 27/4885HDAC8 17/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAPK1 143/4885HDAC1 272/4885HDAC8 236/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 MAPK1 1834/4885HDAC1 418/4885HDAC8 2497/4885
US-20060106045-A1 Spiroindolinepiperidine derivatives RECQL, OPRD1, NCAPD3 MAPK1 2856/4885HDAC1 637/4885HDAC8 1852/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 MAPK1 143/4885HDAC1 272/4885HDAC8 236/4885
US-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 MAPK1 2782/4885HDAC1 2067/4885HDAC8 1532/4885

“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.