SCHEMBL658507

SCHEMBL658507

COC(=O)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
AGTR1 P30556 1/20 0.41
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL660962 0.87 KMT2A (0.41) TSHRKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL660364 0.86 PDCD1 (0.43) TSHRKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL27854995 0.85 ALDH1A1 (0.41) TSHRKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL661158 0.85 TDP1 (0.44) KMT2AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL298474 0.84 SMN1; SMN2 (0.40) TSHRKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL660917 0.83 ALDH1A1 (0.40) TSHRKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL660154 0.83 SMN1; SMN2 (0.39) TSHRKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL298933 0.82 RAB9A (0.40) TSHRKMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL7805087 0.82 HDAC1 (0.40) KMT2AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL27871677 0.80 ALDH1A1 (0.38) TSHRKMT2AALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT TSHR 4816/4885KMT2A 4512/4885ALDH1A1 676/4885

“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.