SCHEMBL6293028

SCHEMBL6293028

CN(C)CC1CCC(=O)C=C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
HSP90AA1 P07900 2/20 0.39
CCR6 P51684 1/20 0.39
MITF O75030 1/20 0.37
HTR6 P50406 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP19A1 P11511 2/20 0.36

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
SCHEMBL7595498 0.88 HSP90AA1 (0.52) METAP1HSP90AA1CCR6HTR6
SCHEMBL6294496 0.85 HSP90AA1 (0.36) METAP1HSP90AA1CCR6MITFADRA2A
SCHEMBL6297691 0.84 METAP1 (0.45) METAP1HSP90AA1CCR6MITFHTR6
SCHEMBL6294523 0.84 HSP90AA1 (0.40) HSP90AA1CCR6MITFHTR6ADRA2A
SCHEMBL6294309 0.84 SLC6A3 (0.40) METAP1HSP90AA1CCR6HTR6
SCHEMBL6298674 0.84 ADRA2A (0.41) HSP90AA1CCR6MITFADRA2AADRA2B
SCHEMBL2969421 0.83 HSP90AA1 (0.55) METAP1HSP90AA1CCR6HTR6
SCHEMBL6297680 0.82 METAP1 (0.36) METAP1HSP90AA1MITFADRA2AADRA2B
Hydrochloric Acid SCHEMBL6293297 0.82 HSP90AA1 (0.57) METAP1HSP90AA1CCR6HTR6
SCHEMBL6298643 0.81 HSP90AA1 (0.38) METAP1HSP90AA1CCR6MITFHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US claimed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP claimed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US claimed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP claimed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 WO claimed
US-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US disclosed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP disclosed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US disclosed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP disclosed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 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-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives CYP2J2, CYP2E1, CYP2D6 METAP1 1551/4885CFTR 607/4885GOPC 4299/4885

“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.