SCHEMBL3546299

SCHEMBL3546299

COc1cccc2c1C(Oc1ccccc1C1CNC(=O)C1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
PDE4A P27815 9/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
CYP3A4 P08684 2/20 0.41
VEGFA P15692 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
TNF P01375 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
PDE1A P54750 1/20 0.41

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
SCHEMBL3546305 0.81 MTNR1A (0.55) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL8049653 0.79 PDE4A (0.57) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL8045390 0.79 PDE4A (0.57) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL8045398 0.79 PDE4A (0.57) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL3546303 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL7293350 0.70 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL17376052 0.69 HTR2C (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL11710269 0.67 PDE4A (0.58) MTNR1APDE4APDE4BPDE4CPDE4D
SCHEMBL6922001 0.66 PKM (0.58) CYP3A4ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL3551313 0.65 MTNR1A (0.67) MTNR1APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696198-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS RUIPING LIU 2009-07-09 US disclosed
US-7235579-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-06-26 US disclosed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US disclosed
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
US-20050272803-A1 Phosphodiesterase 4 inhibitors RUIPING LIU 2005-12-08 US disclosed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed
EP-1435944-A1 4(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES Memory Pharmaceutical Corporation (US) 2004-07-14 EP disclosed
US-20030139406-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-07-24 US disclosed
WO-2003032981-A1 4-(4-ALKOXY-3-HYDROXYPHENYL)-2-PYRROLIDONE DERIVATIVES AS PDE-4 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL SYNDROMES MEMORY PHARMACEUTICALS CORPORATION (US) 2003-04-24 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 (6 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-20030139406-A1 Phosphodiesterase 4 inhibitors PDE12, PDE4A, PDE5A MTNR1A 1385/4885PDE4A 2/4885PDE4B 7/4885
US-20090176799-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE12, PDE3B MTNR1A 1677/4885PDE4A 1/4885PDE4B 5/4885
US-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B MTNR1A 1677/4885PDE4A 1/4885PDE4B 5/4885
US-20050272803-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B MTNR1A 1677/4885PDE4A 1/4885PDE4B 5/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 MTNR1A 575/4885PDE4A 1/4885PDE4B 2/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A MTNR1A 2394/4885PDE4A 1/4885PDE4B 5/4885

“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.