SCHEMBL20148199

SCHEMBL20148199

C=CON1CCN(c2ncc(C=O)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
HDAC3 O15379 4/20 0.30
HDAC1 Q13547 4/20 0.30
HDAC2 Q92769 4/20 0.30
HDAC8 Q9BY41 4/20 0.30
HDAC4 P56524 3/20 0.30
HDAC7 Q8WUI4 3/20 0.30
HDAC10 Q969S8 3/20 0.30
HDAC11 Q96DB2 3/20 0.30
HDAC6 Q9UBN7 3/20 0.30
HDAC9 Q9UKV0 3/20 0.30

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
SCHEMBL20148202 0.80 GAA (0.33) NPC1RAB9ASIGMAR1MAPTPOLB
SCHEMBL20148209 0.77 NPC1 (0.40) KDM4ENPC1RAB9ASIGMAR1MAPT
SCHEMBL20148200 0.77 POLB (0.41) MAPTPOLBHDAC3HDAC1HDAC2
SCHEMBL25308181 0.77 TRIM24 (0.44) KDM4ENPC1RAB9ATAAR1MAPT
SCHEMBL1133951 0.77 TRIM24 (0.48) KDM4ETAAR1MAPTMAPK1POLB
SCHEMBL16755649 0.76 ALDH1A1 (0.53) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL1134095 0.75 ALDH1A1 (0.50) KDM4EMAPTPOLBHDAC6ALDH1A1
SCHEMBL17832213 0.75 OGA (0.43) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL1133918 0.73 POLB (0.57) KDM4EMAPTMAPK1POLBHDAC6
SCHEMBL16654217 0.73 TAAR1 (0.57) KDM4ETAAR1TDP1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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 (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-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 KDM4E 2958/4885NPC1 1981/4885RAB9A 3252/4885

“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.