SCHEMBL3549450

SCHEMBL3549450

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(C4CCCO4)s3)C2)cc1OC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.42
PDE4A P27815 6/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3539484 0.96 MEN1 (0.43) HSD17B10TSHRALDH1A1MAPTGLA
SCHEMBL3549508 0.91 MEN1 (0.41) HSD17B10TSHRALDH1A1MAPTGLA
SCHEMBL3544869 0.89 PDE4A (0.43) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL3548409 0.89 PDE4A (0.42) ALDH1A1MAPTSMN1; SMN2PDE4APDE4B
SCHEMBL3549157 0.89 CYP2C9 (0.43) HSD17B10TSHRALDH1A1SMN1; SMN2PDE4A
SCHEMBL3550316 0.89 CYP2C9 (0.45) ALDH1A1SMN1; SMN2LMNAPDE4APDE4B
SCHEMBL3547192 0.89 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2PDE4APDE4B
SCHEMBL3548446 0.89 ALDH1A1 (0.44) HSD17B10ALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL3550620 0.87 PDE4A (0.41) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL3543785 0.87 ALDH1A1 (0.44) HSD17B10ALDH1A1SMN1; SMN2POLBNPC1

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 9 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
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO 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-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

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 HSD17B10 431/4885TSHR 1786/4885ALDH1A1 132/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 HSD17B10 1561/4885TSHR 2129/4885ALDH1A1 448/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A HSD17B10 418/4885TSHR 2737/4885ALDH1A1 395/4885

“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.