SCHEMBL4394464

SCHEMBL4394464

O=C(NCCc1c[nH]c2ccccc12)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.90
HTR1A P08908 3/20 0.73
BCHE P06276 2/20 0.73
ACHE P22303 2/20 0.73
HTR1B P28222 2/20 0.73
HTR2A P28223 2/20 0.73
HTR2C P28335 2/20 0.73
HTR2B P41595 2/20 0.73
SPR P35270 1/20 0.71
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.67
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
PKM P14618 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
BLM P54132 1/20 0.67
MAPT P10636 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL11468610 0.94 MTNR1A (0.97) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL19411584 0.92 MTNR1A (0.77) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL13745656 0.89 MTNR1A (0.77) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL9358598 0.89 MTNR1A (0.72) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL13203825 0.86 MTNR1A (0.68) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL10113302 0.86 MTNR1A (0.68) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL10114080 0.85 MTNR1A (0.67) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL27572262 0.84 MTNR1A (0.72) MTNR1AHTR1ABCHEACHEHTR1B
SCHEMBL9123061 0.83 SPR (1.00) MTNR1AHTR2CSPRKMT2AMEN1
SCHEMBL18381269 0.83 MTNR1A (0.71) MTNR1AHTR1ABCHEACHEHTR1B

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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B MTNR1A 261/4885HTR1A 34/4885BCHE 3772/4885

“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.