SCHEMBL6792552

SCHEMBL6792552

COc1ccc(C2(OC=O)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
ALDH1A1 P00352 5/20 0.41
CYP2A6 P11509 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
BACE1 P56817 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.39
SLC6A2 P23975 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL4145354 0.98 SLC6A4 (0.46) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL8747444 0.95 SLC6A4 (0.42) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL1898153 0.91 ALDH1A1 (0.45) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL4678558 0.80 SMN1; SMN2 (0.39) ALDH1A1CYP2A6OPRM1HPGDKDM4E
SCHEMBL694701 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL1807152 0.79 SLC6A3 (0.44) SLC6A4SLC6A3ALDH1A1SLC6A2HDAC3
SCHEMBL2861574 0.78 DRD3 (0.45) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL13222499 0.78 SLC6A4 (0.47) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL21961572 0.77 SLC6A4 (0.50) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL21964255 0.77 SLC6A4 (0.50) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 US claimed
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 US disclosed
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 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 (4 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 SLC6A4 3517/4885SLC6A3 3413/4885GRIN1 735/4885
US-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL SLC6A4 399/4885SLC6A3 1630/4885GRIN1 1134/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 SLC6A4 470/4885SLC6A3 601/4885GRIN1 1541/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 SLC6A4 3517/4885SLC6A3 3413/4885GRIN1 735/4885

“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.