SCHEMBL89538

SCHEMBL89538

CCc1cc(F)c(N)cc1OCCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 2/20 0.35
HPGD P15428 1/20 0.35
HTR2A P28223 4/20 0.34
LTB4R Q15722 4/20 0.34
LTB4R2 Q9NPC1 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL88784 0.83 LMNA (0.36) TAAR1L3MBTL1MAPTATMHPGD
SCHEMBL89783 0.81 KDM4E (0.34) TAAR1L3MBTL1MAPTATMHTR2A
SCHEMBL2314552 0.78 L3MBTL1 (0.36) L3MBTL1MAPTATMHTR2ACYP1A2
SCHEMBL90718 0.77 POLB (0.37) L3MBTL1HTR2ACYP1A2CYP2C9CYP2C19
SCHEMBL90030 0.77 PTGES (0.41) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL90276 0.75 CNR2 (0.35) LTB4RLTB4R2MEN1GAAKMT2A
SCHEMBL2572461 0.72 TAAR1 (0.37) TAAR1MAPTHPGDTDP1KDM4E
SCHEMBL13955847 0.72 TAAR1 (0.44) TAAR1L3MBTL1MAPTATMHPGD
SCHEMBL8879337 0.71 L3MBTL1 (0.48) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL9685009 0.71 EGFR (0.34) L3MBTL1HPGDKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (1 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TAAR1 222/4885L3MBTL1 3031/4885MAPT 1089/4885

“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.