SCHEMBL3772246

SCHEMBL3772246

CN(CC1(CN(C(=O)O)C(C)(C)C)CC1)c1cncc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3765631 0.85 SMN1; SMN2 (0.34) NPC1RAB9ASMN1; SMN2POLBHCAR2
SCHEMBL3774549 0.81 GRM5 (0.30)
SCHEMBL3147244 0.80 HTT (0.35) NPC1RAB9ASMN1; SMN2POLBHCAR2
SCHEMBL3773545 0.79 SMN1; SMN2 (0.33) NPC1RAB9ASMN1; SMN2POLBHCAR2
SCHEMBL3805236 0.78 CHRNB2 (0.35) NPC1RAB9ASMN1; SMN2POLBHCAR2
SCHEMBL3147249 0.77 HTT (0.36) NPC1RAB9ASMN1; SMN2POLBHCAR2
SCHEMBL3772248 0.76 NPC1 (0.32) NPC1RAB9ASMN1; SMN2POLBHCAR2
SCHEMBL3772244 0.72 CASP3 (0.34) NPC1RAB9ASMN1; SMN2POLBHCAR2
SCHEMBL3772478 0.72 ABL1 (0.32)
SCHEMBL1025623 0.70 POLB (0.44) NPC1RAB9ASMN1; SMN2POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG NPC1 1976/4885RAB9A 2228/4885SMN1; SMN2 3624/4885

“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.