SCHEMBL1029142

SCHEMBL1029142

NN1C[C@H]2CCCC[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HSD11B1 P28845 1/20 0.37
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL21021885 1.00 ALDH1A1 (0.44) ALDH1A1HSD11B1THRBMEN1KMT2A
SCHEMBL17660060 0.97 ALDH1A1 (0.41) ALDH1A1HSD11B1THRBMEN1KMT2A
SCHEMBL177030 0.93
Hydrochloric Acid SCHEMBL1027991 0.90 ALDH1A1 (0.33) ALDH1A1HSD11B1
SCHEMBL21746451 0.86
SCHEMBL9977971 0.83 ALDH1A1 (0.42) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL13068449 0.83 ALDH1A1 (0.42) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL21574872 0.78
SCHEMBL23585995 0.77 ALDH1A1 (0.35) ALDH1A1HSD11B1
SCHEMBL22699300 0.75 CHRNA7 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (2 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 ALDH1A1 180/4885HSD11B1 1200/4885THRB 3899/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885HSD11B1 163/4885THRB 1523/4885

“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.