SCHEMBL3548167

SCHEMBL3548167

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2)cc1OC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 1/20 0.46
CSNK1D P48730 1/20 0.43
CLK1 P49759 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
PDE4B Q07343 1/20 0.42
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4A P27815 2/20 0.40

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
SCHEMBL3544917 0.93 NPC1 (0.51) CSNK1DCLK1NPC1RAB9AKMT2A
SCHEMBL5790335 0.93 CLK1 (0.46) SMN1; SMN2CSNK1DCLK1NPC1RAB9A
SCHEMBL3546643 0.93 CLK1 (0.46) SMN1; SMN2CSNK1DCLK1NPC1RAB9A
SCHEMBL5197691 0.91 NPC1 (0.45) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL3551105 0.91 NPC1 (0.45) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL3547916 0.90 CSNK1D (0.48) CSNK1DCLK1NPC1RAB9AKMT2A
SCHEMBL3550608 0.87 SMN1; SMN2 (0.46) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL3547736 0.87 PDE4A (0.42) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL3545559 0.85 PDE4B (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL3540503 0.85 PDE4B (0.44) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US claimed
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
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP 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
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US 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 (3 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-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B SMN1; SMN2 2104/4885HTT 4330/4885CSNK1D 1580/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 SMN1; SMN2 754/4885HTT 3591/4885CSNK1D 1952/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A SMN1; SMN2 2959/4885HTT 4651/4885CSNK1D 829/4885

“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.