SCHEMBL8229571

SCHEMBL8229571

C[C@@H]1CN[C@@H](C)CN[C@@H]2CCCC[C@H]2NCCN[C@@H](C)CN1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8229575 1.00 L3MBTL1 (0.43) L3MBTL1CYP2C9TSHRCYP2C19TDP1
SCHEMBL8238261 0.98 L3MBTL1 (0.39) L3MBTL1CYP2C9TSHRCYP2C19TDP1
SCHEMBL8235469 0.98 L3MBTL1 (0.39) L3MBTL1CYP2C9TSHRCYP2C19TDP1
SCHEMBL8229576 0.98 L3MBTL1 (0.44) L3MBTL1CYP2C9TSHRCYP2C19TDP1
SCHEMBL8229572 0.92 L3MBTL1 (0.38) L3MBTL1CYP2C9TSHRCYP2C19TDP1
SCHEMBL8237938 0.88 L3MBTL1 (0.37) L3MBTL1CYP2C9TSHRCYP2C19TDP1
SCHEMBL22389997 0.79 L3MBTL1 (0.46) L3MBTL1
SCHEMBL214038 0.79 L3MBTL1 (0.46) L3MBTL1
SCHEMBL939664 0.79 L3MBTL1 (0.46) L3MBTL1
SCHEMBL789155 0.79 L3MBTL1 (0.46) L3MBTL1

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
WO-2006083508-A2 COMBINATIONS OF SUPEROXIDE DISMUTASE MIMETICS AND NONSTEROIDAL ANALGESIC/ANTI-INFLAMMATORY DRUGS METAPHORE PHARMACEUTICALS INC. (US) 2006-08-10 WO disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 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-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease SOD1, MPO, SOD3 L3MBTL1 3171/4885CYP2C9 2701/4885TSHR 3755/4885

“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.