SCHEMBL1196780

SCHEMBL1196780

COC(=O)C(N)Cc1c[nH]c2cc(F)c(OC)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.61
MTNR1A P48039 6/20 0.57
MTNR1B P49286 5/20 0.55
HTR1A P08908 3/20 0.54
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
TACR1 P25103 2/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 2/20 0.44
SLC6A4 P31645 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 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
SCHEMBL1196782 1.00 HTR2B (0.61) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL19068552 0.90 MTNR1A (0.57) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL16645257 0.90 MTNR1A (0.57) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL1196209 0.87 GPR84 (0.47) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL1196208 0.87 GPR84 (0.47) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL16645248 0.84 MTNR1A (0.48) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL19068566 0.84 MTNR1A (0.48) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL14527148 0.83 HTR1A (0.63) HTR2BMTNR1AHTR1ACYP1A2CYP2D6
SCHEMBL5165399 0.81 HTR2A (0.64) HTR2BMTNR1AMTNR1BHTR1ACYP3A4
SCHEMBL5165731 0.81 HTR2A (0.53) HTR2BHTR1ACYP3A4KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) 4SC AG (DE) 2011-02-03 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-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) KIF5A, KIF5C, KIF5B HTR2B 3838/4885MTNR1A 3754/4885MTNR1B 4032/4885

“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.