SCHEMBL6097342

SCHEMBL6097342

O=C(O)N1CCc2ccc3ccn(CCOc4cccc5cccnc45)c3c2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
EIF4EBP1 Q13541 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR3 P49682 1/20 0.37
LMNA P02545 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 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
SCHEMBL6096847 0.88 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL6099163 0.84 MCL1 (0.43)
SCHEMBL6095694 0.83 TDP1 (0.42) KDM4EALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL6097603 0.82 MAPT (0.41) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL6097732 0.81 SMN1; SMN2 (0.45) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL6096453 0.81 HIF1A (0.48) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6098488 0.79 S1PR5 (0.37) HTT
SCHEMBL6097566 0.76
SCHEMBL6099016 0.72 HTR7 (0.40)
SCHEMBL6096133 0.71 P2RX3 (0.41) KDM4EPOLBRAB9AMAPTNPC1

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-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US disclosed
EP-1406902-A1 HEXAHYDROAZEPINO(4,5-G)INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003006466-A1 HEXAHYDROAZEPINO (4, 5-G) INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 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-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 KDM4E 1450/4885ALDH1A1 479/4885HPGD 1569/4885

“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.