SCHEMBL6782309

SCHEMBL6782309

O=C(O)N1CCc2c(n(CCOc3ccccc3)c3cc(Cl)cc(Cl)c23)CC1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.42
AKR1A1 P14550 1/20 0.42
AKR1B1 P15121 1/20 0.42
KCNA5 P22460 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 1/20 0.36
HTR5A P47898 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 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
SCHEMBL6481275 0.99 AKR1B10 (0.43) AKR1B10AKR1A1AKR1B1KCNA5MEN1
SCHEMBL6782305 0.97 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1KCNA5MEN1
SCHEMBL6474171 0.87 HDAC1 (0.41) AKR1B10AKR1A1AKR1B1KCNA5MEN1
SCHEMBL6474946 0.86 KCNA5 (0.43) KCNA5MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6932621 0.85 KCNA5 (0.41) KCNA5MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6484835 0.84 KCNA5 (0.41) KCNA5MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7075948 0.84 KCNA5 (0.43) KCNA5MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6475974 0.84 KCNA5 (0.43) KCNA5MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6481210 0.83 AKR1B10 (0.43) AKR1B10AKR1A1AKR1B1BAZ2BPTGDR2
SCHEMBL6474551 0.82 KCNA5 (0.43) KCNA5MEN1KMT2ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 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 (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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 AKR1B10 1812/4885AKR1A1 1053/4885AKR1B1 1077/4885

“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.