SCHEMBL6778656

SCHEMBL6778656

C=COC(=O)N1CC2CCCC(C1)C2OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 4/20 0.34
CHRM1 P11229 2/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL6778655 1.00 MEN1 (0.39) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL6749482 0.80 HSD11B1 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4HSD11B1
SCHEMBL6749478 0.80 HSD11B1 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4HSD11B1
SCHEMBL8322027 0.79 PDK1 (0.31) CHRM1
SCHEMBL7143739 0.77 NR1H2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HSD11B1
SCHEMBL6750582 0.75 TPSAB1 (0.34) HSD11B1
SCHEMBL6750578 0.75 TPSAB1 (0.34) HSD11B1
SCHEMBL7147634 0.74 NR1H2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6778018 0.74 CYP2D6 (0.46) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL6778022 0.74 CYP2D6 (0.46) MEN1CYP2D6KMT2AALDH1A1CHRM2

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 MEN1 1834/4885CYP2D6 2072/4885KMT2A 726/4885

“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.