SCHEMBL3084252

SCHEMBL3084252

O=C(O)N1CCC(c2ccc(OCCCOc3cccc(F)c3F)cc2)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
CTSB P07858 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3074223 0.92 HPGD (0.43) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL3209636 0.89 RAB9A (0.39) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL3066821 0.88 SMN1; SMN2 (0.47) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL3079443 0.87 GPR119 (0.45)
SCHEMBL3079723 0.86 SMN1; SMN2 (0.39) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL3080291 0.86 KDM1A (0.41) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL3193386 0.85 RAB9A (0.45) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL3079368 0.84 LMNA (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2PPARG
SCHEMBL3072738 0.84 PPARG (0.45) ALDH1A1RAB9APPARGPPARDMEN1
SCHEMBL3081651 0.84 KDM1A (0.43) ALDH1A1GAAMAPTRAB9ASMN1; SMN2

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-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US 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-20090012055-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885GAA 92/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885GAA 92/4885MAPT 2397/4885

“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.