SCHEMBL753727

SCHEMBL753727

CCOC(=O)c1ccc(N2CCOC(CN)C2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.55
CHEK2 O96017 1/20 0.55
P2RY12 Q9H244 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
OGA O60502 1/20 0.47
PIK3CA P42336 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SGPL1 O95470 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
USP30 Q70CQ3 2/20 0.40

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
SCHEMBL753771 0.86 CHEK1 (0.58) CHEK1CHEK2P2RY12OGAPIK3CA
SCHEMBL753721 0.82 HPGD (0.47) CHEK1CHEK2P2RY12HRH3OGA
SCHEMBL5089275 0.81 PIK3CA (0.67) P2RY12HRH3OGAPIK3CANPC1
SCHEMBL6945090 0.79 HRH3 (0.59) P2RY12HRH3OGAPIK3CANPC1
SCHEMBL13538782 0.78 P2RY12 (0.47) P2RY12NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13538785 0.77 LMNA (0.47) P2RY12OGANPC1RAB9AHPGD
SCHEMBL13304547 0.77 CHEK1 (0.48) CHEK1CHEK2P2RY12OGAPIK3CA
SCHEMBL2820792 0.76 P2RY12 (0.64) P2RY12HRH3OGAPIK3CANPC1
SCHEMBL591858 0.76 HRH3 (0.61) P2RY12HRH3OGAPIK3CANPC1
SCHEMBL3600891 0.76 HDAC1 (0.56) P2RY12HRH3OGANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 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-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC2, HDAC3 CHEK1 1813/4885CHEK2 725/4885P2RY12 4753/4885
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 CHEK1 1813/4885CHEK2 725/4885P2RY12 4753/4885

“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.