SCHEMBL6095694

SCHEMBL6095694

O=C(O)N1CCc2ccc3ccn(CCOc4ccccc4F)c3c2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 4/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
S1PR5 Q9H228 3/20 0.37
FKBP1A P62942 1/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL6096133 0.87 P2RX3 (0.41) TDP1KDM4EMAPTLMNAPOLB
SCHEMBL6097732 0.86 SMN1; SMN2 (0.45) KDM4ELMNAKMT2ARAB9ANPC1
SCHEMBL6099163 0.85 MCL1 (0.43) S1PR5
SCHEMBL6097342 0.83 KDM4E (0.48) KDM4EMAPTLMNAPOLBKMT2A
SCHEMBL6099569 0.80 L3MBTL1 (0.40) TDP1KDM4EMAPTLMNAPOLB
SCHEMBL6098488 0.80 S1PR5 (0.37) S1PR5
SCHEMBL6097566 0.79
SCHEMBL6098655 0.74 MCL1 (0.41) NPC1SMN1; SMN2
SCHEMBL6099016 0.73 HTR7 (0.40) S1PR5
SCHEMBL6099743 0.73 KDM4E (0.51) TDP1KDM4EMAPTLMNAPOLB

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-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
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 TDP1 1431/4885KDM4E 1450/4885MAPT 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.