SCHEMBL3540126

SCHEMBL3540126

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2ccc(C#N)cc2)CC1.CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3-c2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.52
HPGD P15428 4/20 0.47
F10 P00742 1/20 0.42
CYP2D6 P10635 1/20 0.41
FASN P49327 2/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL3545359 0.93 HRH3 (0.52) HRH3CYP2D6FASNMGLL
SCHEMBL3547541 0.92 HRH3 (0.57) HRH3HPGDF10CYP2D6MEN1
SCHEMBL3538084 0.90 HRH3 (0.50) HRH3HPGDCYP2D6MGLL
SCHEMBL3539938 0.87 HRH3 (0.58) HRH3HPGDF10CYP2D6MEN1
SCHEMBL3538048 0.84 HRH3 (0.53) HRH3HPGDCYP2D6
SCHEMBL3538457 0.84 HRH3 (0.53) HRH3HPGDCYP2D6MEN1KMT2A
SCHEMBL3536554 0.83 HRH3 (0.47) HRH3HPGDKMT2AMGLL
SCHEMBL3539964 0.83 HRH3 (0.55) HRH3HPGDCYP2D6MEN1KMT2A
SCHEMBL3541794 0.83 HRH3 (0.55) HRH3CYP2D6MGLL
SCHEMBL3543802 0.82 HPGD (0.52) HRH3HPGDF10MEN1KMT2A

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-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 HRH3 2/4885HPGD 810/4885F10 2489/4885

“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.