SCHEMBL3758698

SCHEMBL3758698

C#CC(O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNA5 P22460 5/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
KCNE1 P15382 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL22744059 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL30321098 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL9547890 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL9331327 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL5581899 0.79 SMN1; SMN2 (0.49) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL27828227 0.76 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL21742321 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL19301718 0.75 CYP1A2 (0.46) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL21742133 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2
SCHEMBL28966787 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235957-A1 P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
EP-4405334-B1 SORTILIN INHIBITORS SORTINA PHARMA AB (SE) 2025-02-12 EP disclosed
US-20250002460-A1 SORTILIN INHIBITORS SORTINA PHARMA AB (SE) 2025-01-02 US disclosed
CN-118317947-A Sortilin inhibitors 索蒂纳制药股份有限公司 2024-07-09 CN disclosed
WO-2023101595-A1 SORTILIN INHIBITORS SORTINA PHARMA AB (SE) 2023-06-08 WO disclosed
WO-2023101595-A1 SORTILIN INHIBITORS SORTINA PHARMA AB (SE) 2023-06-08 WO disclosed
EP-3891149-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
US-11067580-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2021-07-20 US disclosed
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules Life Technologies Corporation 2020-10-22 US disclosed
US-6720342-B2 AZABICYCLIC COMPOUNDS USED IN TREATING A DISEASE IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM. NOVO NORDISK A/S (DK) 2004-04-13 US disclosed
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-20020115697-A1 Heterocyclic compounds and their preparation and use JEPPESEN LONE (DK) 2002-08-22 US disclosed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-6069159-A USEFUL AS STIMULANTS OF THE COGNITIVE FUNCTION OF THE FOREBRAIN AND HIPPOCAMPUS OF MAMMALS ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0888355-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-01-07 EP disclosed
WO-1997034899-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-09-25 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 (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-20020115697-A1 Heterocyclic compounds and their preparation and use CHRM5, ACHE, CHRM2 SLC6A2 984/4885SLC6A4 2907/4885SLC6A3 1724/4885
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules LIG3, LIG1, HLCS SLC6A2 4525/4885SLC6A4 4646/4885SLC6A3 2993/4885
US-11067580-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS SLC6A2 4525/4885SLC6A4 4646/4885SLC6A3 2993/4885
US-20250002460-A1 SORTILIN INHIBITORS SORT1, GRN, SCARB1 SLC6A2 1118/4885SLC6A4 1645/4885SLC6A3 1568/4885

“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.