SCHEMBL7872441

SCHEMBL7872441

Cc1nc2cccc3n(CCCCCNC(=O)C(F)(F)C(F)(F)F)c(=O)c1n23

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.33
DRD4 P21917 5/20 0.33
HTR1A P08908 2/20 0.33
FAAH O00519 5/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 3/20 0.33
STING1 Q86WV6 1/20 0.32
KCNH2 Q12809 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PLA2G4A P47712 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TP53 P04637 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL7863439 0.99 DRD2 (0.34) DRD2DRD4HTR1AFAAHHTT
SCHEMBL7870372 0.92 MEN1 (0.38) DRD2DRD4HTR1AFAAHHTT
SCHEMBL7868688 0.91 ALDH1A1 (0.37) DRD2DRD4HTR1AFAAHHTT
Hydrochloric Acid SCHEMBL7871764 0.90 ALDH1A1 (0.36) DRD2DRD4HTR1AFAAHHTT
SCHEMBL7863443 0.83 FAAH (0.38) HTR1AFAAHHTTBRD4STING1
Hydrochloric Acid SCHEMBL7872445 0.82 FAAH (0.38) DRD2HTR1AFAAHHTTBRD4
SCHEMBL7875380 0.81 HTR1A (0.48) DRD2HTR1ABRD4STING1ADORA3
Hydrochloric Acid SCHEMBL7870310 0.80 HTR1A (0.48) DRD2HTR1ABRD4STING1ADORA3
SCHEMBL7871635 0.80 EPHX1 (0.37) HTTCNR1CNR2
SCHEMBL7872390 0.80 TDP1 (0.32) HTT

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 1720/4885DRD4 1994/4885HTR1A 239/4885

“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.