SCHEMBL3093282

SCHEMBL3093282

CC(C)(O)CC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

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
GRIN2B Q13224 13/20 0.58
HTT P42858 1/20 0.58
CYP2D6 P10635 4/20 0.57
CYP2C9 P11712 4/20 0.57
CYP3A4 P08684 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
FAAH O00519 1/20 0.53

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
SCHEMBL6961837 0.92 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL23187457 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL15140566 0.85 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL11955075 0.85 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL23222355 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2676211 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13519706 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL10089216 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL21553751 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL458148 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565810-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-11-13 EP disclosed
WO-2018127801-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 WO disclosed
WO-2018127801-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 WO disclosed
US-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
US-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
US-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
EP-2181990-B1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2012-08-08 EP disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2181990-A1 PIPERIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-05-05 EP disclosed
EP-2181990-A1 PIPERIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-05-05 EP 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-20100256189-A1 PIPERIDINE DERIVATIVE AR, NR5A1, CYP17A1 SMN1; SMN2 4547/4885NPC1 1202/4885RAB9A 3477/4885

“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.