SCHEMBL6797644

SCHEMBL6797644

CN(C(=O)C1CCCC1)c1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(C3CCCC3)n21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ITK Q08881 5/20 0.40
INSR P06213 3/20 0.40
PLK1 P53350 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6796357 0.91 RXFP1 (0.42) RXFP1ALDH1A1HPGDTSHRNPSR1
SCHEMBL6795645 0.81 NPC1 (0.61) RXFP1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL6795642 0.81 L3MBTL1 (0.40) RXFP1ALDH1A1HPGDTSHRNPSR1
SCHEMBL6795608 0.81 PDE1A (0.37) ALDH1A1HPGDTSHRNPSR1HSD17B10
SCHEMBL6795111 0.80 NPC1 (0.54) RXFP1HPGDTSHRHSD17B10PLK1
SCHEMBL6796438 0.80 PLK1 (0.48) RXFP1ALDH1A1HPGDTSHRNPSR1
SCHEMBL6802244 0.79 NPC1 (0.46) RXFP1ALDH1A1HPGDTSHRNPSR1
SCHEMBL7045495 0.75 L3MBTL1 (0.39) RXFP1ALDH1A1HPGDTSHRNPSR1
SCHEMBL6797499 0.71 ALDH1A1 (0.44) RXFP1ALDH1A1HPGDTSHRNPSR1
SCHEMBL6797503 0.71 NPC1 (0.54) RXFP1ALDH1A1HPGDTSHRPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747035-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS WARNER-LAMBERT LLC 2004-06-08 US claimed
US-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors GUADILLIERE BERNARD (FR) 2003-04-10 US claimed
EP-1285922-A1 1-Alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2003-02-26 EP claimed
US-6747035-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS WARNER-LAMBERT LLC 2004-06-08 US disclosed
US-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors GUADILLIERE BERNARD (FR) 2003-04-10 US disclosed
EP-1285922-A1 1-Alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2003-02-26 EP 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-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors PDE3A, PDE4A, PDE5A RXFP1 130/4885ALDH1A1 329/4885HPGD 483/4885

“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.