SCHEMBL84137

SCHEMBL84137

COc1ccccc1N1CCN(CCN(C(=O)C(C)(C)C)c2ccccn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.72
ADRA1A P35348 4/20 0.72
CYP2D6 P10635 3/20 0.72
CYP3A4 P08684 2/20 0.72
DRD4 P21917 6/20 0.71
ADRA1D P25100 3/20 0.71
ADRA1B P35368 3/20 0.71
TSHR P16473 2/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
KMT2A Q03164 1/20 0.71
CYP2C19 P33261 1/20 0.71
MTOR P42345 1/20 0.71
RAB9A P51151 1/20 0.71
HIF1A Q16665 1/20 0.71
HTR1B P28222 1/20 0.71
HTR7 P34969 1/20 0.71
HTR2B P41595 1/20 0.70

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
SCHEMBL8011055 0.86 CYP2D6 (0.88) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL13314093 0.86 HTR1A (0.75) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL4014204 0.84 ADRA1A (1.00) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL19568202 0.84 CYP2D6 (0.86) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL29786717 0.84 ADRA1A (1.00) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL18211393 0.84 HTR1A (0.86) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL29387395 0.83 CYP2D6 (1.00) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL13314094 0.83 HTR1A (1.00) HTR1AADRA1ACYP2D6CYP3A4DRD4
Way-100,635 SCHEMBL29451114 0.83 HTR1A (1.00) HTR1AADRA1ACYP2D6CYP3A4DRD4
Way-100,635 SCHEMBL13398069 0.83 HTR1A (1.00) HTR1AADRA1ACYP2D6CYP3A4DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US claimed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP claimed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP claimed
EP-1817269-B1 USE OF [11C] CARBON MONOXIDE IN LABELING SYNTHESIS OF 11C-LABELLED AMIDES USING PHOTO-INDUCED FREE RADICAL CARBONYLATION GE HEALTHCARE LTD (GB) 2013-01-02 EP disclosed
US-8129528-B2 Method for the use of [11 C] carbon monoxide in labeling synthesis of 11C-labelled amides using metal amides and photo-induced free radical carbonylation GE HEALTHCARE LIMITED (GB) 2012-03-06 US disclosed
US-8129528-B2 Method for the use of [11 C] carbon monoxide in labeling synthesis of 11C-labelled amides using metal amides and photo-induced free radical carbonylation GE HEALTHCARE LIMITED (GB) 2012-03-06 US disclosed
US-20090297445-A1 METHOD FOR THE USE OF [11C] CARBON MONOXIDE IN LABELING SYNTHESIS OF 11C-LABELLED AMIDES USING METAL AMIDES AND PHOT-INDUCED FREE RADICAL CARBONYLATION ITSENKO OLEKSIY 2009-12-03 US disclosed
US-20090297445-A1 METHOD FOR THE USE OF [11C] CARBON MONOXIDE IN LABELING SYNTHESIS OF 11C-LABELLED AMIDES USING METAL AMIDES AND PHOT-INDUCED FREE RADICAL CARBONYLATION ITSENKO OLEKSIY 2009-12-03 US disclosed
US-7553942-B2 Method for the use of [11C] carbon monoxide in labeling synthesis of 11C-labelled amides using metal amides and photo-induced free radical carbonylation GE HEALTHCARE LIMITED (GB) 2009-06-30 US disclosed
US-7553942-B2 Method for the use of [11C] carbon monoxide in labeling synthesis of 11C-labelled amides using metal amides and photo-induced free radical carbonylation GE HEALTHCARE LIMITED (GB) 2009-06-30 US disclosed
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US disclosed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP disclosed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP 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-20090297445-A1 METHOD FOR THE USE OF [11C] CARBON MONOXIDE IN LABELING SYNTHESIS OF 11C-LABELLED AMIDES USING METAL AMIDES AND PHOT-INDUCED FREE RADICAL CARBONYLATION HCCS, PPOX, PAM HTR1A 1717/4885ADRA1A 2207/4885CYP2D6 462/4885

“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.