SCHEMBL5827136

SCHEMBL5827136

Cc1cc(C)c(-c2c(C)nn3c2nc(C)c2ccn([C@H](C)c4ccccc4)c23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.39
MAPT P10636 8/20 0.37
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
HCRTR1 O43613 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
PI4KB Q9UBF8 1/20 0.34
MAPK1 P28482 3/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL5826571 0.99 NPY1R (0.38) NPY1RMAPTKDM4EALDH1A1HPGD
SCHEMBL6208755 0.90 NPY1R (0.39) NPY1RMAPTKDM4EALDH1A1HPGD
SCHEMBL5827120 0.86 NPY1R (0.39) NPY1RMAPTKDM4EALDH1A1HPGD
SCHEMBL7496659 0.85 NPY1R (0.38) NPY1RMAPTKDM4EALDH1A1HPGD
SCHEMBL5826752 0.84 NPY1R (0.41) NPY1RMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5826673 0.84 NPY1R (0.37) NPY1RMAPTKDM4EALDH1A1HPGD
SCHEMBL5827119 0.82 NPY1R (0.45) NPY1RMAPTKDM4EALDH1A1HPGD
SCHEMBL5826738 0.82 NPY1R (0.40) NPY1RMAPTCRHR1MEN1KMT2A
SCHEMBL5826868 0.81 NPY1R (0.42) NPY1RMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5826764 0.81 NPY1R (0.36) NPY1RMAPTKDM4EALDH1A1HPGD

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 101/4885MAPT 4495/4885KDM4E 3439/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885MAPT 4525/4885KDM4E 4135/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885MAPT 4525/4885KDM4E 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.