SCHEMBL3021875

SCHEMBL3021875

CC1(C(=O)OCc2ccccc2)CCC(=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.55
CRBN Q96SW2 1/20 0.55
ALDH1A1 P00352 4/20 0.49
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL18692576 0.86 ALDH1A1 (0.53) DDB1CRBNALDH1A1NR1H2NR1H3
SCHEMBL12621202 0.86 ALDH1A1 (0.53) DDB1CRBNALDH1A1TDP1MAPK1
SCHEMBL13818212 0.84 ALDH1A1 (0.51) DDB1CRBNALDH1A1TDP1MAPK1
SCHEMBL20221555 0.84 ALDH1A1 (0.51) DDB1CRBNALDH1A1
SCHEMBL25787780 0.84 DDB1 (0.57) DDB1CRBNALDH1A1TDP1MAPK1
SCHEMBL15967632 0.82 DDB1 (0.52) DDB1CRBNALDH1A1TDP1MAPK1
SCHEMBL15114589 0.82 KMT2A (0.51) DDB1CRBNALDH1A1TDP1MAPK1
SCHEMBL5213485 0.82 DDB1 (0.51) DDB1CRBNALDH1A1
SCHEMBL24758766 0.81 ALDH1A1 (0.47) DDB1CRBNALDH1A1
SCHEMBL19208963 0.81 DDB1 (0.53) DDB1CRBNALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025097104-A1 THIENYL COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2025-05-08 WO disclosed
US-20230113609-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. 2023-04-13 US disclosed
EP-4069702-A1 SSTR5 ANTAGONISTS Kallyope, Inc. (US) 2022-10-12 EP disclosed
WO-2021113368-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. (US) 2021-06-10 WO disclosed
WO-2021113368-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. (US) 2021-06-10 WO disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 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-20230113609-A1 SSTR5 ANTAGONISTS SSTR5, GLP1R, GPR119 DDB1 4119/4885CRBN 4203/4885ALDH1A1 2825/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 DDB1 4761/4885CRBN 4128/4885ALDH1A1 1041/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 DDB1 4761/4885CRBN 4128/4885ALDH1A1 1041/4885

“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.