SCHEMBL6097281

SCHEMBL6097281

CCOC(=O)Cn1ccc2ccc3c(c21)CCN(C(=O)O)CC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
PIN1 Q13526 1/20 0.34
PIN4 Q9Y237 1/20 0.34
NOTUM Q6P988 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
TNF P01375 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL6098296 0.86 ESR2 (0.41) JAK2JAK1JAK3KDM4EALDH1A1
SCHEMBL6097566 0.79
SCHEMBL6097732 0.76 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL6095694 0.72 TDP1 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL6099163 0.71 MCL1 (0.43)
SCHEMBL26912368 0.70 APOBEC3A (0.42) JAK2JAK1JAK3KDM4EALDH1A1
SCHEMBL6097342 0.69 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL6098488 0.69 S1PR5 (0.37)
SCHEMBL3872202 0.68 TNF (0.45) JAK2JAK1JAK3KDM4EALDH1A1
SCHEMBL15157143 0.67 ALDH1A1 (0.47) JAK2JAK1JAK3KDM4EALDH1A1

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 JAK2 1238/4885JAK1 1746/4885JAK3 1467/4885

“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.