SCHEMBL6779716

SCHEMBL6779716

O=C(O)N1CCC(O)(Cn2ccnc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.44
USP7 Q93009 2/20 0.41
TBXAS1 P24557 10/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL6777930 0.79 GPR119 (0.45)
SCHEMBL1995858 0.76 CYP11B1 (0.44) ALDH1A1EGLN3TBXAS1CYP11B1CYP11B2
SCHEMBL1664534 0.76 TBXAS1 (0.48) USP7TBXAS1
SCHEMBL6777198 0.74 EGLN3 (0.42) ALDH1A1EGLN3USP7
SCHEMBL20702823 0.73 TBXAS1 (0.55) ALDH1A1EGLN3TBXAS1CYP11B1CYP11B2
SCHEMBL23253117 0.68 CYP46A1 (0.33) ALDH1A1
SCHEMBL7452629 0.67 L3MBTL1 (0.56) ALDH1A1
SCHEMBL20702372 0.66 AVPR1A (0.32) ALDH1A1
SCHEMBL21840110 0.66 CYP46A1 (0.40) ALDH1A1
SCHEMBL3961313 0.66 AVPR1A (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 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-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 ALDH1A1 410/4885EGLN3 658/4885USP7 2892/4885

“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.