SCHEMBL6170136

SCHEMBL6170136

FC(F)(F)c1cccc(N2C3CCC2CNC3)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.60
HTR2C P28335 6/20 0.57
HTR2A P28223 3/20 0.57
HTR2B P41595 3/20 0.57
ALDH1A1 P00352 3/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR1D P28221 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HTR7 P34969 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL15686367 0.84 POLB (0.50) HTR2CHTR2AHTR2BALDH1A1HTR3E
SCHEMBL7242369 0.80 OPRM1 (0.46) OPRM1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL7238013 0.79 OPRM1 (0.66) OPRM1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL7239902 0.74 OPRM1 (0.62) OPRM1HTR2CHTR2AHTR2BHTR3E
SCHEMBL19838619 0.74 OPRM1 (0.62) OPRM1HTR2CHTR2AHTR2BHTR3E
SCHEMBL19640795 0.74 AKR1C3 (0.55)
SCHEMBL6496670 0.74 OPRM1 (0.67) OPRM1HTR2AALDH1A1SIGMAR1MEN1
SCHEMBL17793694 0.73 ADRB1 (0.55) HTR2CHTR2AHTR2BALDH1A1MAPT
SCHEMBL18452497 0.73 HTR2C (1.00) HTR2CHTR2AHTR2BALDH1A1HTR3E
SCHEMBL22813701 0.73 HTR2C (0.42) OPRM1HTR2CHTR2AHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US claimed
US-20050209216-A1 Phenyl-and pyridyl-diazaheterocycles having a tnf-modulating activity SANOFI-AVENTIS (FR) 2005-09-22 US disclosed
EP-1517896-A2 PHENYL- AND PYRIDYL-DIAZAHETEROCYCLES HAVING A TNF-MODULATING ACTIVITY Sanofi-Aventis (FR) 2005-03-30 EP disclosed
WO-2003106425-A2 PHENYL- AND PYRIDYL-DIAZAHETEROCYCLES HAVING A TNF-MODULATING ACTIVITY SANOFI-SYNTHELABO (FR) 2003-12-24 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 (2 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE OPRM1 3696/4885HTR2C 1600/4885HTR2A 3307/4885
US-20050209216-A1 Phenyl-and pyridyl-diazaheterocycles having a tnf-modulating activity TNF, TNFRSF1A, CD40 OPRM1 221/4885HTR2C 472/4885HTR2A 727/4885

“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.