SCHEMBL4186594

SCHEMBL4186594

C#CCN[C@H]1CCc2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 1.00
MAOB P27338 6/20 1.00
ACHE P22303 10/20 0.64
BCHE P06276 2/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
ADRA1A P35348 1/20 0.64
HTR6 P50406 1/20 0.64

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
SCHEMBL4186601 1.00 MAOA (1.00) MAOAMAOBACHEBCHEADRA2B
SCHEMBL4188273 1.00 MAOA (1.00) MAOAMAOBACHEBCHEADRA2B
SCHEMBL4204093 0.93 MAOA (0.87) MAOAMAOBACHEBCHEADRA2B
SCHEMBL4195506 0.93 MAOA (0.87) MAOAMAOBACHEBCHEADRA2B
SCHEMBL4195512 0.93 MAOA (0.87) MAOAMAOBACHEBCHEADRA2B
SCHEMBL5003611 0.88 MAOB (0.79) MAOAMAOBACHEBCHEADRA2B
SCHEMBL15790525 0.84 MAOB (0.72) MAOAMAOBACHEBCHEADRA2B
SCHEMBL5485496 0.83 MAOA (0.71) MAOAMAOBACHE
SCHEMBL332172 0.82 MAOB (0.70) MAOAMAOBACHEBCHEADRA2B
SCHEMBL6262152 0.82 MAOB (0.70) MAOAMAOBACHEBCHEADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131535-A1 PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS TEVA PHARMACEUTICALS INDUSTRIES, LTD. 2009-05-21 US disclosed
US-20090131535-A1 PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS TEVA PHARMACEUTICALS INDUSTRIES, LTD. 2009-05-21 US disclosed
EP-1490324-A4 PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS TEVA PHARMA (IL) 2007-10-10 EP disclosed
EP-1490324-A2 PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-29 EP disclosed
US-20040010038-A1 Propargylamino indan derivatives and propargylamino tetralin derivatives as brain-selective MAO inhibitors TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2004-01-15 US disclosed
WO-2003072055-A2 PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-09-04 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-20040010038-A1 Propargylamino indan derivatives and propargylamino tetralin derivatives as brain-selective MAO inhibitors MAOA, MAOB, AOC3 MAOA 1/4885MAOB 2/4885ACHE 87/4885
US-20090131535-A1 PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS MAOA, MAOB, AOC3 MAOA 1/4885MAOB 2/4885ACHE 43/4885

“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.