SCHEMBL7863443

SCHEMBL7863443

COC(=O)NCCCCn1c(=O)c2c(C)nc3cccc1n32

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.38
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PLA2G4A P47712 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
DYRK1A Q13627 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
BRD4 O60885 1/20 0.34
STING1 Q86WV6 2/20 0.34
TRPV4 Q9HBA0 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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 SCHEMBL7872445 0.99 FAAH (0.38) FAAHHTTCNR1CNR2PLA2G4A
SCHEMBL7875380 0.85 HTR1A (0.48) ADORA3HTR1AHTR2ADRD3BRD4
SCHEMBL7868688 0.85 ALDH1A1 (0.37) FAAHHTTADORA3HTR1ABRD4
Hydrochloric Acid SCHEMBL7871764 0.85 ALDH1A1 (0.36) FAAHHTTADORA3HTR1ABRD4
SCHEMBL7870372 0.85 MEN1 (0.38) FAAHHTTCNR1CNR2PLA2G4A
SCHEMBL7872441 0.83 DRD2 (0.33) FAAHHTTCNR1CNR2PLA2G4A
Hydrochloric Acid SCHEMBL7871546 0.80 TDP1 (0.41) HTTTRPV4
Hydrochloric Acid SCHEMBL7871692 0.80 MEN1 (0.37) HTTCNR2ADORA3HTR1ACYP3A4
SCHEMBL7863446 0.79 HTT (0.39) HTT
SCHEMBL7863472 0.78 HTT (0.38) 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 FAAH 1223/4885HTT 710/4885CNR1 805/4885

“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.