SCHEMBL2405136

SCHEMBL2405136

Fc1ccc2[nH]cc(CCNCc3ccccc3)c2c1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 9/20 0.86
SLC6A4 P31645 4/20 0.86
HTR2A P28223 3/20 0.68
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
HTR6 P50406 1/20 0.62
HTR1A P08908 1/20 0.58

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
SCHEMBL11069253 0.84 SNCA (0.71) MPOSLC6A4HTR2AHTR6HTR1A
SCHEMBL25076892 0.84 HTR2A (0.68) MPOSLC6A4HTR2AHTR6
SCHEMBL830201 0.83 MC5R (0.79) HTR2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL5947615 0.82 HTR2A (0.62) MPOSLC6A4HTR2AHTR6HTR1A
Hydrochloric Acid SCHEMBL11188453 0.82 MC5R (0.77) HTR2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL5947515 0.82 MPO (0.60) MPOSLC6A4HTR2AHTR6HTR1A
SCHEMBL5947320 0.81 HTR1A (0.61) MPOSLC6A4HTR2AHDAC3HDAC4
SCHEMBL9827979 0.81 HTR2A (0.64) MPOSLC6A4HTR2A
SCHEMBL948317 0.81 HTR2A (1.00) HTR2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2405001 0.81 MPO (1.00) MPOSLC6A4HTR2AHTR1A

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN 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 3915/4885SLC6A4 781/4885HTR2A 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.