SCHEMBL6099264

SCHEMBL6099264

CCOC(=O)CC1(CNC(=O)CC2(CN)CCCCC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
USP2 O75604 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD11B1 P28845 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL466295 0.87 ALDH1A1 (0.56) LMNAALDH1A1TSHRCYP1A2USP2
Hydrochloric Acid SCHEMBL6578159 0.85 ALDH1A1 (0.55) LMNAALDH1A1TSHRCYP1A2USP2
SCHEMBL6098963 0.83 TSHR (0.36) LMNAALDH1A1TSHRCYP1A2GAA
SCHEMBL23007584 0.82 ALDH1A1 (0.48) LMNAALDH1A1TSHRCYP1A2USP2
SCHEMBL18573883 0.79 CYP1A2 (0.44) LMNAALDH1A1TSHRCYP1A2USP2
SCHEMBL6098958 0.78 CYP1A2 (0.30) CYP1A2
SCHEMBL4577419 0.77 GAA (0.44) LMNAALDH1A1TSHRCYP1A2USP2
SCHEMBL14060088 0.77 LMNA (0.40) LMNAALDH1A1TSHRCYP1A2USP2
SCHEMBL6575839 0.76 ALDH1A1 (0.47) LMNAALDH1A1TSHRCYP1A2USP2
SCHEMBL6367487 0.76 ALDH1A1 (0.34) LMNAALDH1A1TSHRGAAMGAM

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-7037939-B2 Compound and derivative of gabapentin INDUSTRIAL TECHNOLOGY RESEARCH INSTITUE (TW) 2006-05-02 US disclosed
US-20040248811-A1 Compound and derivative of gabapentin INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2004-12-09 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-20040248811-A1 Compound and derivative of gabapentin GABRA4, NPY4R, CNR2 LMNA 2633/4885ALDH1A1 1596/4885TSHR 1412/4885

“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.