SCHEMBL3067279

SCHEMBL3067279

CC(=O)NCCc1ccc(F)cc1OCCOC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.42
TACR1 P25103 1/20 0.41
MAPT P10636 1/20 0.40
PRMT5 O14744 4/20 0.38
HTR6 P50406 3/20 0.38
GPR119 Q8TDV5 1/20 0.38
BCHE P06276 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CCNA1 P78396 1/20 0.38
PDE4B Q07343 1/20 0.38
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3419667 0.92 S1PR3 (0.40) YAP1TACR1MAPTPRMT5HTR6
SCHEMBL3414880 0.92 MAOB (0.38) YAP1MAOAMAOB
SCHEMBL3081602 0.91 MAPT (0.40) TACR1MAPTHTR6GPR119CCNT1
SCHEMBL3075977 0.90 PDE4B (0.39) TACR1MAPTHTR6GPR119BCHE
SCHEMBL3083182 0.90 PDE4B (0.40) TACR1MAPTGPR119PDE4B
SCHEMBL3071466 0.89 REN (0.46) MAPTPDE4B
SCHEMBL3079773 0.85 MTNR1B (0.41) TACR1MAPTPDE4B
SCHEMBL3081355 0.85 REN (0.47) MAPTPDE4B
SCHEMBL3078010 0.85 MTNR1A (0.38)
SCHEMBL3074079 0.84 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 YAP1 916/4885TACR1 93/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 YAP1 916/4885TACR1 93/4885MAPT 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.