SCHEMBL2409563

SCHEMBL2409563

c1[nH]c2cc3c(cc2c1CCNCC1CC1)OCO3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.54
HTR6 P50406 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1E P28566 1/20 0.54
HTR1F P30939 1/20 0.54
HTR7 P34969 1/20 0.54
HTR2B P41595 1/20 0.54
HTR3A P46098 1/20 0.54
HTR5A P47898 1/20 0.54
HTR4 Q13639 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL27078020 0.82 HTR2A (0.62) HTR1AHTR6HTR3EHTR3BHTR1D
SCHEMBL2402869 0.81 GPR84 (0.51) HTR1AHTR6HTR2BBCHEMPO
SCHEMBL27077936 0.79 HTR2A (0.65) HTR1AHTR6HTR3EHTR3BHTR1D
SCHEMBL3348377 0.77 HTR1A (0.49) HTR1AHTR6HTR2BMEN1KMT2A
SCHEMBL2405163 0.76 GPR84 (0.54) HTR1AHTR6HTR2ABCHESLC6A4
SCHEMBL1969257 0.76 HTR6 (0.62) HTR1AHTR6HTR2AHTR2CHTR7
SCHEMBL2406261 0.76 MTNR1A (0.60) HTR1AHTR6HTR1DHTR1BHTR2A
SCHEMBL1971950 0.76 HTR2A (0.56) HTR1AHTR6HTR2AHTR7MEN1
SCHEMBL1970036 0.76 MPO (0.70) HTR1AHTR6HTR2AHTR7MPO
SCHEMBL1976170 0.76 MTNR1A (0.61) HTR1AHTR6HTR1DHTR2AHTR2C

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HTR1A 56/4885HTR6 177/4885HTR3E 57/4885

“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.