SCHEMBL31755841

SCHEMBL31755841

CN(CCc1cccc(OCCN2CC[C@H](F)C2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 4/20 0.41
KDM4E B2RXH2 3/20 0.41
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTA4H P09960 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL31506013 1.00 BCHE (0.43) BCHEMAOBKCNH2KDM4EPDK2
SCHEMBL31506023 1.00 BCHE (0.43) BCHEMAOBKCNH2KDM4EPDK2
SCHEMBL31755688 1.00 BCHE (0.43) BCHEMAOBKCNH2KDM4EPDK2
SCHEMBL26985807 0.87 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2LTA4HGAA
SCHEMBL30831657 0.84 PDK2 (0.43) KCNH2KDM4EPDK2ALDH1A1SMN1; SMN2
SCHEMBL26995652 0.84 PDK2 (0.43) KCNH2KDM4EPDK2ALDH1A1SMN1; SMN2
SCHEMBL26985730 0.84 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL30831453 0.83 PDK2 (0.42) KCNH2KDM4EPDK2ALDH1A1SMN1; SMN2
SCHEMBL26995637 0.83 PDK2 (0.42) KCNH2KDM4EPDK2ALDH1A1SMN1; SMN2
SCHEMBL26995685 0.81 KDM4E (0.43) KDM4EPDK2ALDH1A1SMN1; SMN2LTA4H

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-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 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-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX BCHE 4267/4885MAOB 3576/4885KCNH2 3343/4885

“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.