SCHEMBL10041968

SCHEMBL10041968

CC(=O)NC1=CCCc2cc(C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAOA P21397 2/20 0.39
NOTUM Q6P988 1/20 0.38
RXRA P19793 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
DYRK1A Q13627 2/20 0.35

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
SCHEMBL10050932 0.81 MPO (0.54) NPC1RAB9ATDP1HSD17B10NOTUM
SCHEMBL31301103 0.80 NPC1 (0.53) NPC1RAB9AHSD17B10MAOAALDH1A1
SCHEMBL12505917 0.72 MAPT (0.44) NPC1RAB9AHSD17B10MAOAALDH1A1
SCHEMBL19435728 0.71 NPC1 (0.50) NPC1RAB9ABAZ2BHSD17B10MAOA
SCHEMBL6826934 0.68 KDM4E (0.46) NPC1RAB9ABAZ2BHSD17B10MAOA
SCHEMBL31465188 0.68 DYRK1A (0.38) NPC1RAB9ABAZ2BMAOANOTUM
SCHEMBL10078250 0.66 KDM4E (0.44) NPC1PARP10HSD17B10ALDH1A1HPGD
SCHEMBL31465075 0.66 NPC1 (0.47) NPC1RAB9AHSD17B10MAOAALDH1A1
Acetic Acid SCHEMBL27953675 0.66 CASP1 (0.50) BAZ2BPARP10PARP11HSD17B10MAOA
SCHEMBL5042357 0.66 NPC1 (0.47) NPC1RAB9AHSD17B10MAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
US-8524950-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2013-09-03 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 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 (4 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 NPC1 4241/4885RAB9A 4638/4885BAZ2B 4439/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 NPC1 3994/4885RAB9A 4717/4885BAZ2B 4212/4885
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 NPC1 4241/4885RAB9A 4638/4885BAZ2B 4439/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 NPC1 4241/4885RAB9A 4638/4885BAZ2B 4439/4885

“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.