SCHEMBL6097732

SCHEMBL6097732

O=C(O)N1CCc2ccc3ccn(CCOc4ccccc4)c3c2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MCL1 Q07820 2/20 0.41
KCNA5 P22460 5/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
PTPN7 P35236 1/20 0.37
HTT P42858 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 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
SCHEMBL6098655 0.87 MCL1 (0.41) SMN1; SMN2HPGDTSHRHSD17B10MCL1
SCHEMBL6095694 0.86 TDP1 (0.42) SMN1; SMN2NPC1ALDH1A1KDM4ELMNA
SCHEMBL6097566 0.83
SCHEMBL6099163 0.83 MCL1 (0.43) MCL1
SCHEMBL6097126 0.83 MCL1 (0.43) SMN1; SMN2TSHRHSD17B10MCL1NPC1
SCHEMBL6097342 0.81 KDM4E (0.48) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1
SCHEMBL6097921 0.79 HRH3 (0.40) MCL1ALDH1A1LMNAMEN1
SCHEMBL6098488 0.78 S1PR5 (0.37) MCL1HTT
SCHEMBL6096453 0.77 HIF1A (0.48) SMN1; SMN2HPGDNPC1ALDH1A1KDM4E
SCHEMBL6099743 0.77 KDM4E (0.51) SMN1; SMN2HPGDHSD17B10NPC1ALDH1A1

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 SMN1; SMN2 3431/4885HPGD 1569/4885TSHR 344/4885

“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.