SCHEMBL6099897

SCHEMBL6099897

Brc1cc(Br)c2cccnc2c1OCCn1ccc2ccc3c(c21)CCNCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
NPSR1 Q6W5P4 4/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 3/20 0.33
HSP90AA1 P07900 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL6098861 0.85 HIF1A (0.43) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL6099743 0.84 KDM4E (0.51) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL6097603 0.81 MAPT (0.41) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL6099152 0.80 ALDH1A1 (0.47) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL6202054 0.76 HRH3 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2HTR2A
SCHEMBL6097921 0.74 HRH3 (0.40) ALDH1A1LMNAMEN1HTR2AHTR2C
SCHEMBL6482883 0.73 KDM4E (0.39) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL6474805 0.73 KDM4E (0.39) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL6475381 0.73 KDM4E (0.39) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL6474321 0.72 KDM4E (0.39) KDM4EALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US claimed
EP-1406902-B1 HEXAHYDROAZEPINO[4,5-G]INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-10-19 EP claimed
EP-1406902-A1 HEXAHYDROAZEPINO(4,5-G)INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP claimed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 US claimed
WO-2003006466-A1 HEXAHYDROAZEPINO (4, 5-G) INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 WO claimed
US-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US disclosed
EP-1406902-B1 HEXAHYDROAZEPINO[4,5-G]INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-10-19 EP disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 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-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 KDM4E 1450/4885ALDH1A1 479/4885MAPT 2607/4885

“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.