SCHEMBL22926902

SCHEMBL22926902

CN1C2CC[C@@H](C2)[C@H]1C(=O)I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
TDP1 Q9NUW8 1/20 0.37
PREP P48147 2/20 0.36
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3A P46098 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 0.33
CHRNA7 P36544 1/20 0.33
CYP2D6 P10635 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33

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
SCHEMBL22927104 0.89 LMNA (0.33) LMNACYP2C9TDP1PREP
SCHEMBL18943176 0.81 TDP1 (0.46) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL18177041 0.81 TDP1 (0.46) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL16076329 0.81 TDP1 (0.46) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL8277176 0.81 LMNA (0.43) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL18829248 0.81 TDP1 (0.46) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL22926910 0.81 LMNA (0.43) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL15430116 0.81 TDP1 (0.46) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL19883625 0.81 TDP1 (0.46) LMNACYP2C9TDP1PREPHTR3E
SCHEMBL13528915 0.81 LMNA (0.43) LMNACYP2C9TDP1PREPHTR3E

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-11325921-B2 Optically active crosslinked cyclic secondary amine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-10 US disclosed
US-20210024547-A1 OPTICALLY ACTIVE CROSSLINKED CYCLIC SECONDARY AMINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-01-28 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 (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-20210024547-A1 OPTICALLY ACTIVE CROSSLINKED CYCLIC SECONDARY AMINE DERIVATIVE MLLT3, MEN1, MLLT1 LMNA 693/4885CYP2C9 2631/4885TDP1 4130/4885
US-11325921-B2 Optically active crosslinked cyclic secondary amine derivative MLLT3, MEN1, MLLT1 LMNA 693/4885CYP2C9 2631/4885TDP1 4130/4885

“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.