SCHEMBL3149135

SCHEMBL3149135

COc1ccc(CC2(C)CN(C3C4CC5CC(C4)CC3C5)C2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
PPARG P37231 1/20 0.34
CA2 P00918 1/20 0.33
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BACE1 P56817 1/20 0.31
HTR2C P28335 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
SCHEMBL3421964 0.72 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1PKML3MBTL1KMT2A
SCHEMBL1894598 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1PKML3MBTL1P2RX7
SCHEMBL13435171 0.70 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1HSD11B1SIGMAR1
SCHEMBL13435183 0.70 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1PKML3MBTL1KMT2A
SCHEMBL13435185 0.69 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1895150 0.68 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1PKML3MBTL1P2RX7
SCHEMBL3426482 0.66 HSD11B1 (0.34) P2RX7HSD11B1
SCHEMBL13435167 0.65 HSD11B1 (0.38) SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL16884188 0.65 KDM1A (0.50) KDM1AMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL13435188 0.65 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1PKML3MBTL1KMT2A

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-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD., (JP) 2010-03-25 US claimed

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-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD3B1, CYP46A1 KDM1A 1334/4885MAOA 3523/4885MAOB 3011/4885

“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.