SCHEMBL2633463

SCHEMBL2633463

CCN1CCC2(CC1)CCN(C1CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
ACHE P22303 1/20 0.31
CTSB P07858 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HSD11B1 P28845 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL2633490 0.92 POLB (0.37) KMT2ATSHRALOX15KDM4EGAA
SCHEMBL13168226 0.89 KMT2A (0.39) KMT2ATSHRSMN1; SMN2ALOX15CYP1A2
SCHEMBL2633461 0.86 KMT2A (0.36) KMT2ATSHRSMN1; SMN2ALOX15CYP1A2
SCHEMBL24235267 0.86 TSHR (0.41) KMT2ATSHRALOX15KDM4ECTSB
SCHEMBL27267682 0.85 KMT2A (0.42) KMT2ATSHRSMN1; SMN2ACHEHRH3
SCHEMBL27291235 0.83 KMT2A (0.41) KMT2ATSHRSMN1; SMN2ACHE
SCHEMBL13180780 0.82 TSHR (0.39) KMT2ATSHRALOX15KDM4EGAA
SCHEMBL25924649 0.82 TSHR (0.42) KMT2ATSHRSMN1; SMN2ALOX15CYP1A2
SCHEMBL23559996 0.82 TSHR (0.48) KMT2ATSHRSMN1; SMN2ALOX15CYP1A2
SCHEMBL7907325 0.80 KMT2A (0.49) KMT2ASMN1; SMN2ALOX15KDM4EACHE

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
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 KMT2A 2855/4885TSHR 276/4885SMN1; SMN2 2554/4885

“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.