SCHEMBL136413

SCHEMBL136413

CCCC(C(=O)O)C(N)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A2 P43004 5/20 0.45
SLC1A1 P43005 5/20 0.45
SLC1A3 P43003 4/20 0.45
GRIK1 P39086 3/20 0.45
GRIK2 Q13002 3/20 0.45
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL16903919 0.85 GRIK1 (0.50) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL10148382 0.84 GPR84 (0.52) SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL25146258 0.83 SLC1A3 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1694215 0.83 SLC1A3 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9678433 0.82 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL19371377 0.80 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5031485 0.80 TDP1 (0.60) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14110749 0.80 TDP1 (0.60) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12438372 0.79 GPR84 (0.52) SLC1A2SLC1A1GRIK1GRIK2ALDH1A1
SCHEMBL8694838 0.79 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114828841-A Use of valproic acid for reducing post-operative scarring after glaucoma surgery 参天制药株式会社 2022-07-29 CN claimed
WO-2021118469-A1 USE OF VALPROIC ACID FOR REDUCING POST-OPERATIVE SCARRING FOLLOWING A GLAUCOMA SURGERY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 WO claimed
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2023-02-23 US disclosed
US-20230015595-A1 USE OF VALPROIC ACID FOR REDUCING POST-OPERATIVE SCARRING FOLLOWING A GLAUCOMA SURGERY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
CN-114828841-A Use of valproic acid for reducing post-operative scarring after glaucoma surgery 参天制药株式会社 2022-07-29 CN disclosed
US-20220096639-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS Frequency Therapeutics, Inc. 2022-03-31 US disclosed
US-11160868-B2 Thermoreversible compositions for administration of therapeutic agents Frequency Therapeutics, Inc. (US) 2021-11-02 US disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
WO-2021118469-A1 USE OF VALPROIC ACID FOR REDUCING POST-OPERATIVE SCARRING FOLLOWING A GLAUCOMA SURGERY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 WO disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20170252448-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS Frequency Therapeutics, Inc. 2017-09-07 US disclosed
US-20130237602-A1 VALPROIC ACID DRUG DELIVERY SYSTEMS AND INTRAOCULAR THERAPEUTIC USES THEREOF ALLERGAN, INC. (US) 2013-09-12 US disclosed
EP-2395970-B1 VALPROIC ACID DRUG DELIVERY SYSTEMS AND INTRAOCULAR THERAPEUTIC USES THEREOF ALLERGAN INC (US) 2013-04-17 EP disclosed
US-20120059060-A1 VALPROIC ACID DRUG DELIVERY SYSTEMS AND INTRAOCULAR THERAPEUTIC USES THEREOF ALLERGAN, INC. 2012-03-08 US disclosed
WO-2010093564-A1 VALPROIC ACID DRUG DELIVERY SYSTEMS AND INTRAOCULAR THERAPEUTIC USES THEREOF ALLERGAN, INC. (US) 2010-08-19 WO disclosed
US-20100204325-A1 VALPROIC ACID DRUG DELIVERY SYSTEMS AND INTRAOCULAR THERAPEUTIC USES THEREOF ALLERGAN, INC. (US) 2010-08-12 US disclosed
US-20090111733-A1 PAR-4 RELATED METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-30 US disclosed
US-20090111733-A1 PAR-4 RELATED METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-30 US disclosed
WO-2008010800-A1 PAR-4 RELATED METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-01-24 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-11160868-B2 Thermoreversible compositions for administration of therapeutic agents MKI67, MCL1, HSPE1 CHRM1 4879/4885AKR1A1 2463/4885CHRM3 4805/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 CHRM1 4722/4885AKR1A1 2773/4885CHRM3 4821/4885
US-20220096639-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS MKI67, MCL1, HSPE1 CHRM1 4879/4885AKR1A1 2463/4885CHRM3 4805/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 CHRM1 4660/4885AKR1A1 3153/4885CHRM3 4561/4885
US-20090111733-A1 PAR-4 RELATED METHODS AND COMPOSITIONS HTR4, HTR3C, F2RL3 CHRM1 471/4885AKR1A1 4077/4885CHRM3 226/4885
US-20170252448-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS MKI67, MCL1, HSPE1 CHRM1 4879/4885AKR1A1 2463/4885CHRM3 4805/4885
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME DCX, NES, MCL1 CHRM1 3860/4885AKR1A1 1868/4885CHRM3 4246/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX CHRM1 4667/4885AKR1A1 2276/4885CHRM3 4878/4885

“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.