SCHEMBL6862802

SCHEMBL6862802

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.61
P2RX1 P51575 1/20 0.56
TMPRSS4 Q9NRS4 1/20 0.56
MLYCD O95822 1/20 0.51
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
GAA P10253 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL6866336 0.85 CHRNB2 (0.68) TACR1P2RX1TMPRSS4CHRNB2CHRNB4
SCHEMBL6868748 0.82 TACR1 (0.60) TACR1
SCHEMBL6869800 0.81 CHRNB2 (0.50) TACR1LMNAHPGDCHRNB2CHRNB4
SCHEMBL16127840 0.80 KMT2A (0.65) TACR1P2RX1TMPRSS4MLYCDMTOR
SCHEMBL6016405 0.80 TACR1 (0.52) TACR1P2RX1TMPRSS4MLYCD
SCHEMBL16088678 0.79 P2RX1 (0.57) TACR1P2RX1TMPRSS4MLYCDLMNA
SCHEMBL16128007 0.77 P2RX1 (0.55) TACR1P2RX1TMPRSS4MLYCDLMNA
SCHEMBL22114105 0.77 TACR1 (0.55) TACR1P2RX1TMPRSS4MLYCDLMNA
SCHEMBL5740346 0.76 CA1 (0.56) TACR1P2RX1TMPRSS4MLYCDLMNA
SCHEMBL6871367 0.76 CHRNB2 (0.45) TACR1LMNAHPGDCHRNB2CHRNB4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171419-B1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
US-6552088-B2 2'-methyl-biphenyl-2-carboxylic acid-(3,5-bis-trifluoromethyl-benzyl)-methyl-amide, for example; treating disease related to neurokinin 1 receptor HOFFMANN-LA ROCHE INC. 2003-04-22 US disclosed
US-20020040060-A1 Biphenyl derivatives BOS MICHAEL (CA) 2002-04-04 US disclosed
EP-1171419-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
WO-2000053572-A1 BIPHENYL DERIVATIVES AS ANTAGONISTS OF THE NEUROKININE-1 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2000-09-14 WO 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-20020040060-A1 Biphenyl derivatives NR1H4, NR1H2, NR1H3 TACR1 16/4885P2RX1 998/4885TMPRSS4 3352/4885

“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.