SCHEMBL5826461

SCHEMBL5826461

COc1ccc(Cn2ccc3c(C)nc4c(-c5c(C)cc(C)cc5C)c(C)nn4c32)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.50
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
CRHR1 P34998 2/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL5826762 0.89 NPY1R (0.42) NPY1RMAPTPOLBCRHR1LMNA
Hydrochloric Acid SCHEMBL5828250 0.88 NPY1R (0.40) NPY1RMAPTPOLBCRHR1LMNA
SCHEMBL5826785 0.88 NPY1R (0.38) NPY1RMAPTPOLBCYP1A2
SCHEMBL7492597 0.86 NPY1R (0.39) NPY1RMAPTLMNA
Hydrochloric Acid SCHEMBL5826984 0.86 NPY1R (0.39) NPY1RMAPTMAPK1LMNATP53
Hydrochloric Acid SCHEMBL5826943 0.85 NPY1R (0.38) NPY1RLMNA
SCHEMBL6496723 0.85 NPY1R (0.38) NPY1R
SCHEMBL5826453 0.84 NPY1R (0.50) NPY1RMAPTMAPK1CRHR1CYP1A2
SCHEMBL5826672 0.83 SLC2A1 (0.40) NPY1RMAPTPOLBCRHR1LMNA
SCHEMBL5826478 0.83 NPY1R (0.41) NPY1RMAPTMAPK1CRHR1

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 8 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
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 101/4885MAPT 4495/4885POLB 4671/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885MAPT 4525/4885POLB 4721/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885MAPT 4525/4885POLB 4721/4885

“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.