SCHEMBL15053597

SCHEMBL15053597

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3cc(F)ccc3OC)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
HTR2A P28223 3/20 0.45
HTR7 P34969 3/20 0.45
HTR6 P50406 1/20 0.45
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
P2RY1 P47900 1/20 0.38
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL3710755 0.92 HTR1A (0.50) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL15053207 0.92 HTR1A (0.49) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL15052884 0.92 MEN1 (0.44) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL15052540 0.92 HTR1A (0.42) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL15053387 0.91 HTR1A (0.41) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL15053716 0.91 IGF1R (0.47) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL15053304 0.91 BRAF (0.41) HTR1AHTR2AHTR7HTR6P2RY1
SCHEMBL15053889 0.90 BTK (0.39) MAPTMEN1KMT2AHTTHTR3E
SCHEMBL15052932 0.87 KMT2A (0.41) HTR1AHTR2AHTR7MAPTMEN1
SCHEMBL15053550 0.87 RAB9A (0.42) HTR1AHTR2AHTR7HTTP2RY1

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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 HTR1A 3184/4885HTR2A 2861/4885HTR7 2927/4885

“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.