SCHEMBL21497617

SCHEMBL21497617

O=C(OCc1ccccc1)N1CCC(C#Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP2C19 P33261 1/20 0.61
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GRIN2B Q13224 9/20 0.52
HTT P42858 1/20 0.52
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 3/20 0.48
FAAH O00519 1/20 0.47
ENPP2 Q13822 1/20 0.47

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
SCHEMBL6062459 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1290635 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31553895 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21497616 0.83 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31460273 0.82 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31553768 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4981751 0.81 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3898493 0.81 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14992459 0.81 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2323942 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-20210347763-A1 BIARYL PIPERIDINE AMIDE COMPOUNDS AND METHODS OF USE THEREOF ATHENEX, INC. 2021-11-11 US disclosed
US-20200071305-A1 BIARYL PIPERIDINE AMIDE COMPOUNDS AND METHODS OF USE THEREOF OAKTREE FUND ADMINISTRATION, LLC 2020-03-05 US disclosed
US-10450303-B2 Biaryl piperidine amide compounds and methods of use thereof ATHENEX, INC. (US) 2019-10-22 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 (3 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-10450303-B2 Biaryl piperidine amide compounds and methods of use thereof AADAC, PAICS, UGT2B7 SMN1; SMN2 3010/4885NPC1 771/4885RAB9A 775/4885
US-20210347763-A1 BIARYL PIPERIDINE AMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, PAICS, UGT2B7 SMN1; SMN2 3010/4885NPC1 771/4885RAB9A 775/4885
US-20200071305-A1 BIARYL PIPERIDINE AMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, PAICS, UGT2B7 SMN1; SMN2 3010/4885NPC1 771/4885RAB9A 775/4885

“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.