SCHEMBL2402869

SCHEMBL2402869

Fc1cc2[nH]cc(CCNCC3CC3)c2cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
MTNR1A P48039 3/20 0.49
MTNR1B P49286 2/20 0.49
MPO P05164 6/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.44
HTR1A P08908 4/20 0.43
BCHE P06276 1/20 0.42
SPR P35270 1/20 0.41
NOTUM Q6P988 2/20 0.40

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
SCHEMBL3348377 0.90 HTR1A (0.49) GPR84MTNR1AMTNR1BMPOSLC6A4
SCHEMBL1969257 0.84 HTR6 (0.62) GPR84MTNR1AMTNR1BMPOSLC6A4
SCHEMBL1970036 0.84 MPO (0.70) MTNR1AMTNR1BMPOSLC6A4HTR6
SCHEMBL2409563 0.81 HTR1A (0.54) MPOSLC6A4HTR2BHTR6HTR1A
SCHEMBL1976170 0.78 MTNR1A (0.61) MTNR1AMTNR1BMPOSLC6A4HTR6
SCHEMBL2406261 0.78 MTNR1A (0.60) GPR84MTNR1AMTNR1BMPOSLC6A4
SCHEMBL2405163 0.78 GPR84 (0.54) GPR84MTNR1AMTNR1BSLC6A4HTR6
SCHEMBL1971950 0.78 HTR2A (0.56) MTNR1AMTNR1BHTR6HTR1ABCHE
SCHEMBL1968351 0.77 BCHE (0.67) MTNR1ASLC6A4HTR1ABCHE
SCHEMBL1969255 0.76 MPO (0.57) GPR84MTNR1AMTNR1BMPOSLC6A4

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 GPR84 73/4885MTNR1A 23/4885MTNR1B 22/4885

“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.