SCHEMBL5637896

SCHEMBL5637896

O=C(Oc1ccc(Cl)cc1)N1CCc2cc(O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.52
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
SRD5A1 P18405 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
LIPE Q05469 1/20 0.41
ABHD6 Q9BV23 1/20 0.41

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
SCHEMBL5637937 0.92 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPT
SCHEMBL27531930 0.83 KMT2A (0.54) NOTUMMAPTDRD2DRD4LIPE
SCHEMBL5639788 0.80 NOTUM (0.43) NOTUMPOLBLMNAMAPTHTR2A
SCHEMBL27609230 0.79 KDM4E (0.61) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL7217123 0.76 KMT2A (0.65) NOTUMLMNAMAPTDRD2DRD4
SCHEMBL7218495 0.75 NOTUM (0.41) NOTUMPOLBLMNAMAPTDRD2
SCHEMBL3899182 0.75 ESR2 (0.61) NOTUMPDK1PDK2PDK3PDK4
SCHEMBL5563636 0.74 NOTUM (0.70) NOTUMPOLBMAPTHTR2AHTR2C
SCHEMBL5638826 0.74 KMT2A (0.44) PDK1PDK2PDK3PDK4LMNA
SCHEMBL5638962 0.74 KMT2A (0.44) PDK1PDK2PDK3PDK4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102007-B2 Dihydroindole and tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 US disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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 (2 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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 NOTUM 1315/4885PDK1 484/4885PDK2 273/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 NOTUM 1315/4885PDK1 484/4885PDK2 273/4885

“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.