SCHEMBL6777634

SCHEMBL6777634

CC(C)(C)OC(=O)N1CCC(O)(CC(O)CO)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.39
USP19 O94966 1/20 0.38
NR1H2 P55055 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.37
DPP4 P27487 1/20 0.36
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL6777879 0.86 USP2 (0.41) USP2SMN1; SMN2TSHRUSP19HPGD
SCHEMBL31596988 0.84 GPR4 (0.40) USP2SMN1; SMN2TSHRUSP19NR1H2
SCHEMBL26665526 0.84 USP2 (0.46) USP2SMN1; SMN2TSHRNR1H2HPGD
SCHEMBL4278207 0.84 USP2 (0.46) USP2SMN1; SMN2TSHRHPGDALOX15
SCHEMBL9388403 0.82 L3MBTL1 (0.49) SMN1; SMN2TSHRATMRECQL
SCHEMBL6187275 0.82 USP2 (0.40) USP2SMN1; SMN2TSHRNR1H2HPGD
SCHEMBL2349423 0.82 USP2 (0.50) USP2SMN1; SMN2TSHRNR1H2HPGD
SCHEMBL237976 0.79 USP2 (0.47) USP2SMN1; SMN2TSHRUSP19NR1H2
SCHEMBL16084356 0.79 USP2 (0.42) USP2SMN1; SMN2TSHRUSP19HPGD
SCHEMBL18481414 0.79 USP2 (0.42) USP2SMN1; SMN2TSHRUSP19HPGD

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 USP2 3351/4885SMN1; SMN2 1322/4885TSHR 3875/4885

“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.