SCHEMBL5826762

SCHEMBL5826762

COc1cccc(Cn2ccc3c(C)nc4c(-c5c(C)cc(C)cc5C)c(C)nn4c32)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.42
LPO P22079 3/20 0.41
SLC2A1 P11166 1/20 0.41
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CMA1 P23946 1/20 0.38
MAOB P27338 3/20 0.38
HTR6 P50406 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHR1 P34998 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5826461 0.89 NPY1R (0.50) NPY1RMAPTTP53LMNAPOLB
SCHEMBL5826672 0.89 SLC2A1 (0.40) NPY1RSLC2A1MAPTTP53LMNA
Hydrochloric Acid SCHEMBL5826984 0.86 NPY1R (0.39) NPY1RMAPTTP53LMNAKDM4E
SCHEMBL7492597 0.82 NPY1R (0.39) NPY1RMAPTLMNAKDM4EHTR6
Hydrochloric Acid SCHEMBL6209582 0.82 MAPT (0.41) NPY1RMAPTLMNAKDM4EPOLB
SCHEMBL5826712 0.81 MAPT (0.41) NPY1RMAPTTP53KDM4ECMA1
SCHEMBL5826785 0.81 NPY1R (0.38) NPY1RMAPTPOLB
SCHEMBL6496723 0.81 NPY1R (0.38) NPY1RMEN1KMT2A
Hydrochloric Acid SCHEMBL5826943 0.81 NPY1R (0.38) NPY1RLMNAKDM4EHTR6SMN1; SMN2
SCHEMBL5830099 0.81 NPY1R (0.41) NPY1RMAPTTP53KDM4ECRHR1

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-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
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
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 (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-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 NPY1R 101/4885LPO 4802/4885SLC2A1 1704/4885

“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.