SCHEMBL6858417

SCHEMBL6858417

C#CCN[C@H]1CC(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.51
MAOA P21397 12/20 0.51
ACHE P22303 3/20 0.51
BCHE P06276 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1A P35348 1/20 0.51
HTR6 P50406 1/20 0.51
P2RX7 Q99572 1/20 0.38

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
SCHEMBL1987089 1.00 MAOB (0.51) MAOBMAOAACHEBCHEADRA2B
SCHEMBL1986900 1.00 MAOB (0.51) MAOBMAOAACHEBCHEADRA2B
Hydrochloric Acid SCHEMBL1988599 0.98 MAOB (0.50) MAOBMAOAACHEBCHEADRA2B
SCHEMBL1988665 0.93 MAOB (0.59) MAOBMAOAACHEBCHEADRA2B
SCHEMBL2404815 0.76 SLC6A2 (0.44) ADRA2BADRA2CADRA1AP2RX7
SCHEMBL11869810 0.76 KDM1A (0.42) MAOAACHEBCHEP2RX7
SCHEMBL16795631 0.75 ACHE (0.51) MAOBMAOAACHEBCHEADRA2B
Hydrochloric Acid SCHEMBL1992094 0.75 P2RX7 (0.34) MAOBMAOAACHEBCHEADRA2B
SCHEMBL11864699 0.74 GRIN2B (0.47) ADRA1A
SCHEMBL2345537 0.73 P2RX7 (0.39) MAOBACHEP2RX7

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
EP-2939669-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2015-11-04 EP disclosed
US-20150045445-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2015-02-12 US disclosed
US-20150045445-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2015-02-12 US disclosed
WO-2011087791-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-07-21 WO disclosed
US-20110152381-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2011-06-23 US disclosed
US-20110152381-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2011-06-23 US 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-20150045445-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN PKD1, NAT1, AAAS MAOB 4099/4885MAOA 2982/4885ACHE 1597/4885
US-20110152381-A1 3-KETO-N-PROPARGYL-1-AMINOINDAN PKD1, NAT1, AAAS MAOB 4099/4885MAOA 2982/4885ACHE 1597/4885

“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.