SCHEMBL3765632

SCHEMBL3765632

CC(C)(C)CN(C(=O)O)C1(CN(C=O)c2cncc(Br)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CACNA1I Q9P0X4 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL3772248 0.86 NPC1 (0.32) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3154940 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACASP3MAPT
SCHEMBL3765631 0.77 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9ACASP3MAPT
SCHEMBL3765627 0.73 CASP3 (0.41) SMN1; SMN2NPC1RAB9ACASP3MAPT
SCHEMBL3154934 0.72 KDM4E (0.39) SMN1; SMN2NPC1RAB9ACASP3MAPT
SCHEMBL3147249 0.69 HTT (0.36) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL3780432 0.68
SCHEMBL3145281 0.66
SCHEMBL27999737 0.66 CYP1A2 (0.50) SMN1; SMN2NPC1RAB9ACASP3MAPT
SCHEMBL3772246 0.65 NPC1 (0.33) SMN1; SMN2NPC1RAB9AMAPTHTT

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 SMN1; SMN2 3624/4885NPC1 1976/4885RAB9A 2228/4885

“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.