SCHEMBL3081602

SCHEMBL3081602

CC(=O)NCCc1ccc(F)cc1OCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
TACR1 P25103 1/20 0.38
SCN9A Q15858 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
BRD3 Q15059 1/20 0.34
HTR6 P50406 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PDE4B Q07343 1/20 0.34
EPHX2 P34913 1/20 0.34
PAK1 Q13153 1/20 0.34

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
SCHEMBL3067279 0.91 YAP1 (0.42) MAPTGPR119TACR1CCNT1CDK9
SCHEMBL3072274 0.90 CNR1 (0.34) CNR1CNR2
SCHEMBL3083182 0.89 PDE4B (0.40) MAPTGPR119TACR1PDE4B
SCHEMBL3075977 0.88 PDE4B (0.39) MAPTGPR119TACR1SCN9AHTR6
SCHEMBL3071466 0.87 REN (0.46) MAPTPDE4B
SCHEMBL3419667 0.86 S1PR3 (0.40) MAPTGPR119TACR1CCNT1CDK9
SCHEMBL3079773 0.84 MTNR1B (0.41) MAPTTACR1PDE4BEPHX2
SCHEMBL3081355 0.82 REN (0.47) MAPTPDE4B
SCHEMBL3414880 0.82 MAOB (0.38)
SCHEMBL3074079 0.82 MAPT (0.42) MAPTPDE4B

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-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
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MAPT 2397/4885GPR119 729/4885TACR1 93/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MAPT 2397/4885GPR119 729/4885TACR1 93/4885

“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.