SCHEMBL6858112

SCHEMBL6858112

Br/C=C/CN[C@@H]1CCc2ccccc21

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
HTR1A P08908 1/20 0.43
SLC18A3 Q16572 1/20 0.42
KDM1A O60341 1/20 0.42
FADS1 O60427 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
EPHX2 P34913 2/20 0.39

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
SCHEMBL13618838 0.84 MAOA (0.59) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3905728 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL13618833 0.84 MAOA (0.59) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3890758 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL13618846 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3895381 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3890762 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3905731 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL13618835 0.84 MAOA (0.59) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL13618832 0.84 MAOA (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741962-B2 Process for preparation of Rasagiline and salts thereof USV LIMITED (IN) 2014-06-03 US disclosed
US-8741962-B2 Process for preparation of Rasagiline and salts thereof USV LIMITED (IN) 2014-06-03 US disclosed
US-20110155626-A1 PROCESS FOR PREPARATION OF RASAGILINE AND SALTS THEREOF USV LIMITED (IN) 2011-06-30 US disclosed
US-20110155626-A1 PROCESS FOR PREPARATION OF RASAGILINE AND SALTS THEREOF USV LIMITED (IN) 2011-06-30 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-20110155626-A1 PROCESS FOR PREPARATION OF RASAGILINE AND SALTS THEREOF RAB27A, RAB35, RAB7A MAOA 343/4885MAOB 365/4885BCHE 2017/4885

“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.