SCHEMBL19196849

SCHEMBL19196849

C[C@H]1CCCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
CYP2C19 P33261 1/20 0.64
HTT P42858 1/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 2/20 0.56
GRIN2B Q13224 6/20 0.54
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
HPGD P15428 1/20 0.52
HTR2C P28335 1/20 0.51
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL10250531 1.00 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4760522 0.94 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2787104 0.89 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL9906942 0.89 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15841156 0.89 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15841157 0.86 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL12683472 0.86 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13621944 0.86 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL18084803 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13547248 0.85 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030010-B2 Route of synthesis for the preparation of suvorexant SANDOZ AG (CH) 2018-07-24 US disclosed
US-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant SANDOZ AG (CH) 2017-08-03 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 (2 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-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant CYP51A1, CYP3A5, HCRTR2 SMN1; SMN2 2834/4885NPC1 197/4885RAB9A 772/4885
US-10030010-B2 Route of synthesis for the preparation of suvorexant CYP51A1, CYP3A5, HCRTR2 SMN1; SMN2 2983/4885NPC1 162/4885RAB9A 890/4885

“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.