SCHEMBL2406575

SCHEMBL2406575

CN(C(=O)Cc1c[nH]c2cc(F)ccc12)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
SLC6A4 P31645 8/20 0.50
HTR1A P08908 2/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 3/20 0.47
ACHE P22303 1/20 0.44
DPP4 P27487 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1B P28222 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2410035 0.90 TSHR (0.61) GPR84SLC6A4HTR1ATSHRHTR2A
SCHEMBL2406603 0.88 HTR2A (0.47) HTR2A
SCHEMBL2402862 0.86 GPR84 (0.48) GPR84SLC6A4HTR1ATSHRDPP4
SCHEMBL2405107 0.84 MAPT (0.54) HTR2AACHE
SCHEMBL2403274 0.80 ICMT (0.49) SLC6A4HTR1ATSHRHTR2AHTR1B
SCHEMBL25139912 0.78 GPR84 (0.63) GPR84SLC6A4HTR1ATSHRHTR2A
SCHEMBL2404886 0.77 KDM4E (0.64) GPR84SLC6A4HTR1ATSHRHTR2A
SCHEMBL30418868 0.77 KDM4E (0.64) GPR84SLC6A4HTR1ATSHRHTR2A
SCHEMBL2404384 0.77 HTR1A (0.64) GPR84SLC6A4HTR1AHTR2AHTR1B
SCHEMBL4098433 0.77 TSHR (0.77) GPR84SLC6A4HTR1ATSHRHTR2A

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 73/4885SLC6A4 781/4885HTR1A 56/4885

“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.