SCHEMBL116600

SCHEMBL116600

Cn1c(C(=O)N2CCc3cc(CN4CCC4)ccc3C2)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 10/20 0.59
KCNH2 Q12809 3/20 0.59
CYP2D6 P10635 2/20 0.59
KCNE1 P15382 1/20 0.59
SCN5A Q14524 1/20 0.59
GRM5 P41594 1/20 0.46
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
HDAC6 Q9UBN7 1/20 0.43
CHKA P35790 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL118802 0.98 QRFPR (0.59) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL119128 0.85 QRFPR (0.58) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL116962 0.85 QRFPR (0.77) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL117974 0.83 QRFPR (0.68) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL118024 0.83 QRFPR (0.56) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL117808 0.81 QRFPR (0.63) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL118302 0.79 QRFPR (0.51) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL566761 0.74 QRFPR (1.00) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL565379 0.74 QRFPR (0.76) QRFPRKCNH2CYP2D6KCNE1SCN5A
SCHEMBL175520 0.73 QRFPR (0.57) QRFPRKCNH2CYP2D6KCNE1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP claimed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US claimed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO claimed
EP-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US disclosed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 WO disclosed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 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-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE HTR1F, HTR3C, HTR6 QRFPR 11/4885KCNH2 829/4885CYP2D6 288/4885

“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.