SCHEMBL2032504

SCHEMBL2032504

C=CCN[C@@H]1c2ccccc2CC1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
HTR1A P08908 6/20 0.46
PRCP P42785 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
OPRM1 P35372 1/20 0.37
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
IDO1 P14902 1/20 0.32

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
Bromide SCHEMBL2033211 0.98 SIGMAR1 (0.49) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL8099489 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL3894933 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL8099494 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL3894893 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL7538877 0.77 SIGMAR1 (0.55) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL9277494 0.71 SIGMAR1 (0.41) SIGMAR1HTR1APRCPMAOBMAOA
SCHEMBL8395590 0.71 SIGMAR1 (0.59) SIGMAR1HTR1AMAOBMAOAGRIN2B
SCHEMBL7130225 0.69 GRIN2D (0.42) SIGMAR1OPRM1GRIN2DGRIN3BGRIN1
SCHEMBL7174206 0.69 GRIN2D (0.42) SIGMAR1OPRM1GRIN2DGRIN3BGRIN1

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-8741962-B2 Process for preparation of Rasagiline and salts thereof USV LIMITED (IN) 2014-06-03 US disclosed
EP-2364967-A2 Process for preparation of rasagiline and salts thereof USV Limited (IN) 2011-09-14 EP 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 SIGMAR1 3861/4885HTR1A 1838/4885PRCP 117/4885

“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.