SCHEMBL3209636

SCHEMBL3209636

O=C(O)N1CCC(c2ccc(OCCCOc3c(F)cccc3F)cc2)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 3/20 0.37
KDM1A O60341 1/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
S1PR1 P21453 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 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
SCHEMBL3084252 0.89 ALDH1A1 (0.39) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3074223 0.89 HPGD (0.43) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3066821 0.88 SMN1; SMN2 (0.47) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3193386 0.88 RAB9A (0.45) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3081651 0.87 KDM1A (0.43) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3078429 0.86 GPR119 (0.47)
SCHEMBL3072128 0.86 KDM1A (0.42) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL6041843 0.86 RAB9A (0.45) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3084251 0.85 MEN1 (0.40) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL6043844 0.84 MEN1 (0.45) RAB9AALDH1A1MAPTMEN1KMT2A

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 RAB9A 1066/4885ALDH1A1 142/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 RAB9A 1066/4885ALDH1A1 142/4885MAPT 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.