SCHEMBL8239366

SCHEMBL8239366

C[C@H](N)C(=O)NCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ARG1 P05089 4/20 0.48
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.39
EPHX1 P07099 1/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ARG2 P78540 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL28655000 1.00 TDP1 (0.54) TDP1ARG1KMT2ATSHRCYP2D6
SCHEMBL28654997 1.00 TDP1 (0.54) TDP1ARG1KMT2ATSHRCYP2D6
SCHEMBL3220227 0.90 EPHX1 (0.52) TDP1KMT2ATSHRCYP2D6EPHX1
SCHEMBL27770664 0.90 EPHX1 (0.52) TDP1KMT2ATSHRCYP2D6EPHX1
SCHEMBL8596277 0.89 KMT2A (0.57) TDP1ARG1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15623782 0.85 ARG1 (0.41) TDP1ARG1KMT2ATSHRCYP2D6
SCHEMBL12310946 0.84 ARG1 (0.50) TDP1ARG1KMT2ATSHRCYP2D6
SCHEMBL16559588 0.84 ARG1 (0.50) TDP1ARG1KMT2ATSHRCYP2D6
SCHEMBL1107035 0.83 TDP1 (0.52) TDP1KMT2ATSHRCYP2D6EPHX1
SCHEMBL19974699 0.82 TDP1 (0.48) TDP1ARG1KMT2ATSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 US disclosed
US-20090042867-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE FUCHS KLAUS 2009-02-12 US disclosed
US-20090042867-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE FUCHS KLAUS 2009-02-12 US disclosed
WO-2007017509-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017507-A1 BETA-SECRETASE INHIBITORS FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO 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-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 TDP1 119/4885ARG1 1629/4885KMT2A 2558/4885
US-20090042867-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, MAOB TDP1 600/4885ARG1 399/4885KMT2A 1906/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 TDP1 598/4885ARG1 263/4885KMT2A 1857/4885

“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.