SCHEMBL56944

SCHEMBL56944

COCCCn1cc(C=O)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
MAPT P10636 3/20 0.74
SMN1; SMN2 Q16637 4/20 0.73
LMNA P02545 3/20 0.73
HTT P42858 3/20 0.73
HPGD P15428 2/20 0.73
POLB P06746 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
IMPDH2 P12268 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51

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
SCHEMBL8265051 0.96 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1518274 0.91 POLB (0.71) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13490864 0.86 ALDH1A1 (0.70) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14519061 0.85 ALDH1A1 (0.71) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL16116060 0.84 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13132155 0.83 NPC1 (0.54) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11903655 0.82 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4329904 0.82 POLB (0.59) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23497774 0.82 POLB (0.60) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29744400 0.82 POLB (0.60) ALDH1A1NPC1RAB9AMAPTSMN1; 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
CN-102015682-B 3, 4-substituted piperidine derivatives as renin inhibitors MERCK FROSST CANADA LTD 2014-07-16 CN disclosed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
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
CN-101365680-A 3, 5-substituted piperidine compounds as renin inhibitors NOVARTIS AG (CH) 2009-02-11 CN disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 ALDH1A1 13/4885NPC1 1447/4885RAB9A 881/4885

“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.