SCHEMBL3598403

SCHEMBL3598403

Cn1c(C(=O)NC2CCNC2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.54
HTR4 Q13639 1/20 0.51
MCL1 Q07820 1/20 0.49
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 1/20 0.46
CREBBP Q92793 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ACSS2 Q9NR19 1/20 0.45
POLB P06746 1/20 0.44
CCKAR P32238 1/20 0.44

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
SCHEMBL3598401 1.00 CHRNA7 (0.54) CHRNA7HTR4MCL1CNR2KDM4E
SCHEMBL4821963 0.87 CHRNA7 (0.45) CHRNA7HTR4MCL1CNR2KDM4E
SCHEMBL2276515 0.86 CHRNA7 (0.61) CHRNA7MCL1CNR2KDM4EHSD17B10
SCHEMBL21489902 0.80 CHRNA7 (0.56) CHRNA7MCL1CNR2KDM4EHSD17B10
SCHEMBL19701326 0.80 CHRNA7 (0.56) CHRNA7MCL1CNR2KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL3607463 0.79 HTR4 (0.43) HTR4CNR2ACSS2
SCHEMBL21489788 0.76 SMYD3 (0.53) CHRNA7CNR2KDM4EHSD17B10TSHR
SCHEMBL19701325 0.76 SMYD3 (0.53) CHRNA7CNR2KDM4EHSD17B10TSHR
SCHEMBL4153134 0.74 CHRNA7 (0.52) CHRNA7MCL1CNR2KDM4EHSD17B10
SCHEMBL5258047 0.73 CHRNA7 (0.54) CHRNA7MCL1CNR2KDM4EHSD17B10

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
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT CHRNA7 794/4885HTR4 247/4885MCL1 124/4885

“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.