SCHEMBL1974432

SCHEMBL1974432

BrC[C@H](Br)CNC1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
BCHE P06276 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ACHE P22303 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR6 P50406 1/20 0.55
PDPK1 O15530 1/20 0.51
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SLC18A3 Q16572 1/20 0.42
KDM1A O60341 1/20 0.42
FADS1 O60427 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL8041215 1.00 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL1971825 1.00 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL23330224 0.82 MAOA (0.64) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL9520772 0.76 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL9499569 0.75 MAOA (0.63) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL6851796 0.75 MAOA (0.68) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL6851081 0.75 MAOA (0.68) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL10282640 0.75 MAOA (0.68) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL7149968 0.72 GRIN2B (0.62) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL7146949 0.72 GRIN2B (0.62) MAOAMAOBBCHEADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461388-B2 Process for the synthesis of propargylated aminoindan derivatives CIPLA LIMITED (IN) 2013-06-11 US disclosed
EP-2231582-B1 PROCESS FOR THE SYNTHESIS OF PROPARGYLATED AMINOINDAN DERIVATIVES CIPLA LTD (IN) 2011-06-22 EP disclosed
US-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives CIPLA LIMITED (IN) 2011-03-03 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 (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-20110054218-A1 Process for the Synthesis of Propargylated Aminoindan Derivatives DAO, DDC, HRH2 MAOA 811/4885MAOB 549/4885BCHE 2692/4885

“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.