SCHEMBL1969257

SCHEMBL1969257

Fc1ccc2c(CCNCC3CC3)c[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.62
HTR1A P08908 4/20 0.56
HTR2A P28223 3/20 0.56
DRD2 P14416 2/20 0.56
HTR7 P34969 2/20 0.56
MPO P05164 7/20 0.55
SLC6A4 P31645 2/20 0.55
GPR84 Q9NQS5 1/20 0.54
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
HTR2C P28335 1/20 0.48
NOTUM Q6P988 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL1970036 0.90 MPO (0.70) HTR6HTR1AHTR2ADRD2HTR7
SCHEMBL17819281 0.86 HTR2A (0.69) HTR6HTR1AHTR2ADRD2HTR7
SCHEMBL30275112 0.86 HTR2A (0.69) HTR6HTR1AHTR2ADRD2HTR7
SCHEMBL2405163 0.84 GPR84 (0.54) HTR6HTR1AHTR2ASLC6A4GPR84
SCHEMBL1971950 0.84 HTR2A (0.56) HTR6HTR1AHTR2AHTR7BCHE
SCHEMBL2402869 0.84 GPR84 (0.51) HTR6HTR1AMPOSLC6A4GPR84
SCHEMBL1970281 0.81 MTNR1A (0.63) HTR6HTR1AHTR2AMPONOTUM
SCHEMBL1968351 0.81 BCHE (0.67) HTR1AHTR2ASLC6A4BCHEMTNR1A
SCHEMBL26996489 0.80 GPR84 (0.67) HTR1AHTR2ADRD2MPOSLC6A4
SCHEMBL3348377 0.80 HTR1A (0.49) HTR6HTR1AMPOSLC6A4GPR84

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 3 patents. 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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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 HTR6 177/4885HTR1A 56/4885HTR2A 46/4885

“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.