SCHEMBL7647207

SCHEMBL7647207

C[CH]CC(O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
KDM4E B2RXH2 2/20 0.42
IGF1R P08069 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
TRPA1 O75762 1/20 0.37
IDO1 P14902 2/20 0.36

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
SCHEMBL21353855 0.79 AOC3 (0.47) AOC3KDM4EIGF1RMEN1KMT2A
SCHEMBL31378985 0.79 AOC3 (0.47) AOC3KDM4EIGF1RHTTGABBR2
SCHEMBL7104502 0.79 AOC3 (0.47) AOC3KDM4EIGF1RMEN1KMT2A
SCHEMBL27417198 0.79 AOC3 (0.52) AOC3GABBR2GABBR1IDO1
SCHEMBL12503320 0.78 AOC3 (0.46) AOC3KDM4EIGF1RMEN1KMT2A
SCHEMBL11555282 0.77 AOC3 (0.36) AOC3KDM4EHTTTRPA1IDO1
SCHEMBL2632364 0.76 LMNA (0.60) AOC3KDM4EIGF1RMEN1KMT2A
SCHEMBL1978021 0.76 LMNA (0.60) AOC3KDM4EIGF1RMEN1KMT2A
SCHEMBL14569262 0.76 LMNA (0.60) AOC3KDM4EIGF1RMEN1KMT2A
SCHEMBL7928876 0.75 DPP4 (0.41) AOC3GABBR2GABBR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US claimed
CN-104603104-B Crystal formation of azetidine ketonic compound and preparation method thereof 浙江海正药业股份有限公司 2016-12-07 CN disclosed
US-6486173-B2 SEROTONIN-7 (5-HT7); TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS SLEEP DISORDERS, DEPRESSION AND SCHIZOPHRENIA; FOR EXAMPLE 1,3-DIHYDRO-2-((4-(4-FLUOROPHENYL)-4-OXOBUTYL))ISOINDOLE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US disclosed
US-6239143-B1 TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. DUPONT PHARMACEUTICALS COMPANY 2001-05-29 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 (1 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-20010041714-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A AOC3 1334/4885KDM4E 3671/4885IGF1R 2760/4885

“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.