SCHEMBL17675706

SCHEMBL17675706

CC(C)(C)OC(=O)NCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.67
CA1 P00915 5/20 0.67
CA2 P00918 5/20 0.67
CA9 Q16790 5/20 0.67
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
POLB P06746 1/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HPGD P15428 1/20 0.58
IDO1 P14902 1/20 0.58
PDK2 Q15119 1/20 0.57
RECQL P46063 2/20 0.55
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL24920672 0.95 CA12 (0.67) CA12CA1CA2CA9MTNR1A
SCHEMBL16906832 0.91 BCHE (0.61) CA12CA1CA2CA9MTNR1A
SCHEMBL4459617 0.90 CA12 (0.65) CA12CA1CA2CA9MTNR1A
SCHEMBL25623328 0.89 CA12 (0.62) CA12CA1CA2CA9MTNR1A
SCHEMBL236856 0.87 CA12 (0.54) CA12CA1CA2CA9MTNR1A
SCHEMBL21068676 0.87 CA12 (0.66) CA12CA1CA2CA9MTNR1A
SCHEMBL1606333 0.87 TSHR (0.67) CA12CA1CA2CA9RAB9A
SCHEMBL10568289 0.86 CA12 (0.69) CA12CA1CA2CA9MTNR1A
SCHEMBL21601467 0.86 CA12 (0.69) CA12CA1CA2CA9MTNR1A
SCHEMBL13726564 0.86 CA12 (0.69) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974040-A N- (3- (benzo [ B ] thiophen-2-amido) -phenyl) -2, 3-dihydrobenzo [ B ] [1,4] dioxin-6-amide derivatives and related compounds as lactic acid/ATP production inhibitors for the treatment of cancer 威马特股份公司 2024-11-15 CN disclosed
WO-2023153504-A1 NUCLEIC ACID DELIVERY MATERIAL 国立大学法人東海国立大学機構 2023-08-17 WO disclosed
EP-3475268-B9 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2021-04-21 EP disclosed
EP-3475268-B1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2020-08-19 EP disclosed
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors NEUROLIXIS (FR) 2020-02-18 US disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2019-06-27 US disclosed
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
CN-104220421-A Sulfonamide derivatives of benzylamine for the treatment of central nervous system disorders ADAMED SP ZOO 2014-12-17 CN 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-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E CA12 4882/4885CA1 4857/4885CA2 4598/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 CA12 4852/4885CA1 4880/4885CA2 4598/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E CA12 4882/4885CA1 4857/4885CA2 4598/4885

“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.