SCHEMBL6777930

SCHEMBL6777930

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.45
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 6/20 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
SCHEMBL6779716 0.79 ALDH1A1 (0.46)
SCHEMBL4837064 0.79 DTYMK (0.47) GPR119USP2SMN1; SMN2NAMPT
SCHEMBL3355470 0.79 KDM1A (0.42) GPR119OPRD1OPRK1JAK2JAK1
Iodide SCHEMBL27209184 0.78 DTYMK (0.47) GPR119USP2SMN1; SMN2NAMPT
SCHEMBL2018953 0.77 GPR119 (0.50) GPR119
SCHEMBL484477 0.76 GPR119 (0.43) GPR119JAK2JAK1NAMPT
SCHEMBL8622484 0.75 GPR119 (0.43) GPR119OPRD1OPRK1USP2SMN1; SMN2
SCHEMBL3300328 0.75 HPGD (0.46) USP2SMN1; SMN2
SCHEMBL25133817 0.74 GPR119 (0.53) GPR119OPRD1OPRK1NAMPT
SCHEMBL2349423 0.74 USP2 (0.50) GPR119USP2SMN1; SMN2

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-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
EP-0632808-A1 ANTIVIRAL PEPTIDES Pfizer Limited (GB) 1995-01-11 EP disclosed
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 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 (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 GPR119 768/4885OPRD1 305/4885OPRK1 1043/4885

“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.