SCHEMBL5826414

SCHEMBL5826414

Cc1cc(C)c(-c2c(C)nn3c2nc(C)c2ccn(CCc4ccccc4)c23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.39
PI4KB Q9UBF8 1/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HCRTR1 O43613 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA2A P29274 1/20 0.34
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL5826613 0.89 MAPT (0.40) NPY1RMAPTKDM4EHPGDTP53
Hydrochloric Acid SCHEMBL5826984 0.88 NPY1R (0.39) NPY1RPI4KBMAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL5826933 0.84 NPY1R (0.41) NPY1RMAPT
SCHEMBL5826672 0.83 SLC2A1 (0.40) NPY1RPI4KBMAPTKDM4ETP53
SCHEMBL5826627 0.83 NPY1R (0.39) NPY1RMAPTKDM4ENPSR1MAPK1
SCHEMBL5828011 0.83 NPY1R (0.39) NPY1RMAPT
Hydrochloric Acid SCHEMBL5827062 0.83 NPY1R (0.39) NPY1RHPGDNPSR1
SCHEMBL5827046 0.83 NPY1R (0.39) NPY1RMAPTKDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL5827007 0.82 NPY1R (0.42) NPY1RMAPTKDM4EHPGDTP53
SCHEMBL5826603 0.82 NPY1R (0.39) NPY1RPI4KBMAPTKDM4EHPGD

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-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004147-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 101/4885PI4KB 4165/4885MAPT 4495/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885PI4KB 4411/4885MAPT 4525/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885PI4KB 4411/4885MAPT 4525/4885

“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.