SCHEMBL10241607

SCHEMBL10241607

Cn1nc(OC[C@@]2(C3C=CC=CC3)C[C@H]2C(=O)O)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL10241585 0.81 HCRTR1 (0.40) HRH3
SCHEMBL10240707 0.73 HCRTR2 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL10266450 0.72
SCHEMBL2619202 0.71 HCRTR1 (0.42)
SCHEMBL2619094 0.70 HCRTR1 (0.41) ALDH1A1
SCHEMBL10241598 0.69 HCRTR1 (0.35) SMN1; SMN2GAAALDH1A1
SCHEMBL12344430 0.69 HCRTR1 (0.34)
SCHEMBL12344431 0.69 HCRTR1 (0.33)
SCHEMBL12344606 0.69 HCRTR1 (0.44)
SCHEMBL10241620 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 PKM 4317/4885HTT 1672/4885SMN1; SMN2 592/4885

“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.