SCHEMBL89580

SCHEMBL89580

COCCCOc1cc(CO)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.49
ALOX15 P16050 1/20 0.40
ACP1 P24666 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL88762 0.87 NCF1 (0.52) NCF1ACP1
SCHEMBL89579 0.86 NCF1 (0.49) NCF1ACP1PDE10ALMNAHPGD
SCHEMBL31425610 0.83 NCF1 (0.49) NCF1ACP1PDE4APDE4BPDE3B
SCHEMBL7068027 0.82 ALOX15 (0.58) ALOX15PDE4APDE4BPDE3BPDE3A
SCHEMBL27795810 0.80 NCF1 (0.51) NCF1ALOX15ACP1LMNAHPGD
SCHEMBL27774889 0.80 NCF1 (0.43) NCF1ACP1PDE10ALMNAHPGD
SCHEMBL89578 0.79 NCF1 (0.42) NCF1ACP1
SCHEMBL660585 0.78 KDM4E (0.44) NCF1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL2809059 0.78 NCF1 (0.41) NCF1ACP1
SCHEMBL23716946 0.78 NCF1 (0.51) NCF1PDE4APDE4BPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 NCF1 4177/4885ALOX15 3459/4885ACP1 4149/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 NCF1 3515/4885ALOX15 973/4885ACP1 3686/4885

“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.