SCHEMBL1966782

SCHEMBL1966782

Fc1ccccc1CCNCC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.57
TAAR1 Q96RJ0 3/20 0.53
HPGD P15428 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.47
EPHX2 P34913 1/20 0.47
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
GFER P55789 1/20 0.43
THRB P10828 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL1968533 0.79 TP53 (0.47) MPOTAAR1CYP3A4CYP2D6CYP2C9
SCHEMBL1966295 0.79 MEN1 (0.70) TAAR1CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7368184 0.79 TAAR1 (0.67) MPOTAAR1HPGDCYP3A4CYP2D6
SCHEMBL4049556 0.76 MAOA (0.62) MPOTAAR1MAOAMAOB
SCHEMBL25007229 0.76 TAAR1 (0.53) TAAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1965743 0.76 MPO (0.60) MPOTAAR1HPGDKMT2AMEN1
SCHEMBL1969255 0.75 MPO (0.57) MPOSLC6A4
SCHEMBL1973753 0.75 HTR2A (0.57)
SCHEMBL22919766 0.75 KMT2A (0.58) MPOCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1967142 0.74 HTR2A (0.56) MPOTAAR1KMT2AMEN1EPHX2

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 MPO 3915/4885TAAR1 48/4885HPGD 2412/4885

“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.