SCHEMBL5826767

SCHEMBL5826767

CCOCCCn1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.37
CRHR1 P34998 4/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 2/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 3/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
RUNX1 Q01196 1/20 0.31
KMT2A Q03164 1/20 0.31
CBFB Q13951 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31

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
Hydrochloric Acid SCHEMBL5826611 0.89 NPY1R (0.38) NPY1RCRHR1KDM4EMAPK1HSD17B10
Hydrochloric Acid SCHEMBL5827062 0.87 NPY1R (0.39) NPY1RCRHR1HPGD
SCHEMBL5827037 0.87 NPY1R (0.36) NPY1RCRHR1KDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL5826566 0.86 NPY1R (0.39) NPY1RCRHR1HPGD
Hydrochloric Acid SCHEMBL5826528 0.85 NPY1R (0.38) NPY1RCRHR1HPGD
Hydrochloric Acid SCHEMBL5827368 0.85 NPY1R (0.38) NPY1RCRHR1HPGD
SCHEMBL5826627 0.85 NPY1R (0.39) NPY1RCRHR1KDM4EMAPK1HSD17B10
Hydrochloric Acid SCHEMBL5826933 0.85 NPY1R (0.41) NPY1RCRHR1
Hydrochloric Acid SCHEMBL5827007 0.82 NPY1R (0.42) NPY1RCRHR1KDM4EALDH1A1HPGD
SCHEMBL5826589 0.82 NPY1R (0.38) NPY1RCRHR1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 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 (3 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-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 NPY1R 101/4885CRHR1 2/4885KDM4E 3439/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885CRHR1 2/4885KDM4E 4135/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885CRHR1 2/4885KDM4E 4135/4885

“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.