SCHEMBL2404556

SCHEMBL2404556

Fc1ccc2[nH]cc(CCNCC(F)F)c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 15/20 0.71
SLC6A4 P31645 4/20 0.69
NOTUM Q6P988 2/20 0.59
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
HTR2A P28223 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
HTR1A P08908 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL2405001 0.83 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL2403826 0.82 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL2407287 0.82 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL19833294 0.81 MC5R (0.68) HTR2AHTR1AKMT2A
SCHEMBL2408407 0.81 MPO (0.71) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL2404396 0.80 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL24693261 0.80 MPO (0.69) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL29206374 0.80 MPO (0.73) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL30877882 0.79 MPO (0.68) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL2404826 0.79 MPO (0.72) MPOSLC6A4NOTUMMTNR1AMTNR1B

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 MPO 3915/4885SLC6A4 781/4885NOTUM 3663/4885

“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.