SCHEMBL5826672

SCHEMBL5826672

Cc1cccc(Cn2ccc3c(C)nc4c(-c5c(C)cc(C)cc5C)c(C)nn4c32)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
NPY1R P25929 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
CRHR1 P34998 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
ADORA2A P29274 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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 SCHEMBL5826984 0.90 NPY1R (0.39) NPY1RALDH1A1KDM4ETDP1MAPT
SCHEMBL5826762 0.89 NPY1R (0.42) SLC2A1NPY1RKDM4EMAPTTP53
SCHEMBL7492597 0.86 NPY1R (0.39) NPY1RALDH1A1KDM4ETDP1MAPT
Hydrochloric Acid SCHEMBL6209582 0.86 MAPT (0.41) NPY1RALDH1A1KDM4ETDP1MAPT
SCHEMBL5826785 0.85 NPY1R (0.38) NPY1RALDH1A1MAPTPOLBPI4KB
Hydrochloric Acid SCHEMBL5826943 0.85 NPY1R (0.38) NPY1RALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6496723 0.85 NPY1R (0.38) NPY1RMEN1KMT2A
SCHEMBL5826603 0.84 NPY1R (0.39) NPY1RALDH1A1KDM4EMAPTCYP11B1
SCHEMBL5826461 0.83 NPY1R (0.50) NPY1RMAPTTP53POLBCRHR1
SCHEMBL5826414 0.83 NPY1R (0.39) NPY1RALDH1A1KDM4ETDP1MAPT

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 SLC2A1 1704/4885NPY1R 101/4885ALDH1A1 3091/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 SLC2A1 3026/4885NPY1R 130/4885ALDH1A1 3794/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 SLC2A1 3026/4885NPY1R 130/4885ALDH1A1 3794/4885

“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.