SCHEMBL2404802

SCHEMBL2404802

COC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nccnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.44
SPR P35270 1/20 0.44
SLC6A4 P31645 5/20 0.43
HTR1A P08908 3/20 0.43
NOTUM Q6P988 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HTR2A P28223 3/20 0.42
TACR2 P21452 1/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41

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
SCHEMBL1972736 0.95 MPO (0.45) MPOSPRSLC6A4HTR1ANOTUM
SCHEMBL1974629 0.93 MPO (0.43) MPOSPRSLC6A4HTR1ANOTUM
SCHEMBL1974139 0.90 GPR84 (0.42) MPOSPRSLC6A4HTR1ANOTUM
SCHEMBL2406302 0.90 SPR (0.44) MPOSPRSLC6A4HTR1ANOTUM
SCHEMBL2404552 0.89 MPO (0.49) MPOSLC6A4HTR1ANOTUMMTNR1A
SCHEMBL2405420 0.89 MPO (0.51) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL1972892 0.89 TDO2 (0.42) MPOSPRSLC6A4HTR1ANOTUM
SCHEMBL1973407 0.89 SPR (0.43) MPOSPRSLC6A4HTR1ANOTUM
SCHEMBL2407917 0.88 HTR2A (0.50) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL2404159 0.87 TACR2 (0.45) MPOSLC6A4HTR1ANOTUMMTNR1A

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 claimed
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 3915/4885SPR 3781/4885SLC6A4 781/4885

“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.