SCHEMBL7872489

SCHEMBL7872489

Cc1nc2cccc3n(CC4CCNCC4)c(=O)c1n23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
HTT P42858 1/20 0.36
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 1/20 0.35
BRD4 O60885 2/20 0.35
PARP1 P09874 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FEN1 P39748 1/20 0.34
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
CNR2 P34972 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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 SCHEMBL8712952 0.88 STK4 (0.38) DRD2HTTADORA3ADORA2ABRD4
Hydrochloric Acid SCHEMBL8716168 0.87 NPY1R (0.40) HTTTLR8TLR7
Hydrochloric Acid SCHEMBL8718961 0.85 ADORA3 (0.37) HTTADORA3ADORA2APDE5APDE4A
SCHEMBL7871653 0.80 PDE5A (0.37) HTTADORA3ADORA2ACNR2PDE5A
Hydrochloric Acid SCHEMBL7872363 0.79 PDE5A (0.36) ADORA3ADORA2ACNR2PDE5APDE4A
SCHEMBL7868708 0.78 GPR119 (0.43)
SCHEMBL8713210 0.78 CKS1B (0.38) DRD2CNR2GNRHR
SCHEMBL8713955 0.77 ALDH1A1 (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8713015 0.76 CNR2 (0.34) DRD2ADORA3ADORA2ACNR2PDE5A
Hydrochloric Acid SCHEMBL7863365 0.75 KDM4E (0.38) DRD2BRD4PARP1HDAC1HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 WO 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN DRD2 1720/4885HTT 710/4885ADORA3 3418/4885

“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.