SCHEMBL2028968

SCHEMBL2028968

C#CCN[C@@]1(OC(=O)CCCCCCCCCCCCCCC)CCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
NAMPT P43490 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARG P37231 1/20 0.33
OPRL1 P41146 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19259384 0.66 SIGMAR1 (0.52) SIGMAR1LMNACYP1A2CYP2C19OPRL1
SCHEMBL22175918 0.64 SIGMAR1 (0.50) SIGMAR1LMNA
SCHEMBL20559035 0.64 LMNA (0.37) NAMPTLMNAGAA
SCHEMBL1038115 0.63 SIGMAR1 (0.47) SIGMAR1NAMPTOPRL1
SCHEMBL6277987 0.62 MAOB (0.34) SIGMAR1
SCHEMBL10869311 0.62 POLM (0.44) PPARGKMT2A
SCHEMBL10868978 0.62 POLM (0.44) PPARGKMT2A
SCHEMBL29123516 0.62 MEN1 (0.44) CYP2C9CYP2C19KMT2A
SCHEMBL11496823 0.62 SIGMAR1 (0.45) SIGMAR1
SCHEMBL12050765 0.62 LMNA (0.47) SIGMAR1NAMPTLMNAGAA

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 3861/4885NAMPT 1196/4885LMNA 4272/4885

“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.