SCHEMBL130028

SCHEMBL130028

COC(=O)CCCC(=O)NCCn1cccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 1/20 0.40
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL26091147 0.81 TSHR (0.54) TSHRHSD17B10MEN1KMT2AHTT
SCHEMBL16610100 0.81 TSHR (0.53) TSHRHSD17B10GAAHPGDMEN1
SCHEMBL11492453 0.78 CASP2 (0.48) TSHRHSD17B10GAAHPGDMEN1
SCHEMBL8045914 0.77 TSHR (0.50) TSHRHSD17B10HPGDMEN1KMT2A
SCHEMBL15399777 0.77 TSHR (0.65) TSHRRECQLMEN1KMT2ALMNA
SCHEMBL131411 0.77 GAA (0.46) TSHRHSD17B10GAAHPGDMEN1
SCHEMBL13376978 0.75 RECQL (0.65) TSHRRECQLGAAMEN1KMT2A
SCHEMBL2771342 0.74 RECQL (0.63) TSHRRECQLMEN1KMT2ALMNA
SCHEMBL130047 0.73 GAA (0.44) TSHRHSD17B10GAAHPGDMEN1
SCHEMBL9772489 0.73 L3MBTL1 (0.62) TSHRHSD17B10GAAHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
WO-2012028331-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2012-03-08 WO disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 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-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds BDKRB1, BDKRB2, LTB4R TSHR 975/4885RECQL 2092/4885HSD17B10 4290/4885

“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.