SCHEMBL2633405

SCHEMBL2633405

C1C[C@]2(CCN(C3CC3)C2)CN1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 4/20 0.47
CYP2D6 P10635 8/20 0.41
CYP3A4 P08684 8/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 5/20 0.41
USP2 O75604 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2C9 P11712 1/20 0.39
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 1/20 0.33
SLC9A3 P48764 1/20 0.32

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
SCHEMBL2110081 1.00 L3MBTL3 (0.49) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
Hydrochloric Acid SCHEMBL16059731 0.98 TSHR (0.50) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
SCHEMBL346460 0.88 CYP2D6 (0.39) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
SCHEMBL13931106 0.88 L3MBTL3 (0.44) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
Trifluoroacetic Acid SCHEMBL30567860 0.86 L3MBTL3 (0.49) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
SCHEMBL23063180 0.86 L3MBTL3 (0.37) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
SCHEMBL4130497 0.85 L3MBTL3 (0.52) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
SCHEMBL17484299 0.84 TSHR (0.44) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
SCHEMBL17008457 0.83 ALDH1A1 (0.46) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4
SCHEMBL5568091 0.83 ALDH1A1 (0.46) L3MBTL3L3MBTL1TSHRCYP2D6CYP3A4

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 L3MBTL3 4018/4885L3MBTL1 4053/4885TSHR 276/4885

“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.