SCHEMBL3944556

SCHEMBL3944556

C[N]C1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.49
PDPK1 O15530 1/20 0.43
GID4 Q8IVV7 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
CYP2D6 P10635 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL3942510 1.00 IDO1 (0.49) IDO1PDPK1GID4HTTALDH1A1
SCHEMBL2399832 1.00 IDO1 (0.49) IDO1PDPK1GID4HTTALDH1A1
SCHEMBL5085348 0.88 PDPK1 (0.50) IDO1PDPK1ADRA1A
SCHEMBL2400656 0.88 PDPK1 (0.50) IDO1PDPK1ADRA1A
SCHEMBL2325455 0.84 IDO1 (0.52) IDO1PDPK1HTTALDH1A1ADRA2A
SCHEMBL1736567 0.81 IDO1 (0.42) IDO1PDPK1GID4HTTALDH1A1
SCHEMBL1736857 0.81 IDO1 (0.42) IDO1PDPK1GID4HTTALDH1A1
SCHEMBL10642893 0.81 IDO1 (0.49) IDO1HTTALDH1A1ADRA2AADRA1A
SCHEMBL6346257 0.81 IDO1 (0.49) IDO1HTTALDH1A1XBP1ADRA2A
SCHEMBL14855827 0.77 IDO1 (0.45) IDO1HTTALDH1A1ADRA2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 IDO1 196/4885PDPK1 3603/4885GID4 1944/4885

“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.