SCHEMBL22330447

SCHEMBL22330447

CC(C)c1c(C(F)(F)F)nc2n1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
HSD11B1 P28845 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRIA2 P42262 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL23546705 0.80 KDM4E (0.38) TP53LMNAPOLBPI4KAPI4K2B
SCHEMBL13360504 0.78 POLB (0.44) MEN1KMT2ATP53LMNAPOLB
SCHEMBL13328166 0.76 TP53 (0.39) MEN1KMT2ATP53LMNAPOLB
SCHEMBL22330359 0.75 MEN1 (0.42) MEN1KMT2APOLBPI4KAPI4K2B
SCHEMBL20086568 0.75 KDM4E (0.46) MEN1KMT2ATP53LMNAPOLB
SCHEMBL22273345 0.74 MEN1 (0.41) MEN1KMT2ATP53LMNAPOLB
SCHEMBL13377049 0.73 SMN1; SMN2 (0.45) MEN1KMT2ATP53LMNAPOLB
SCHEMBL13377083 0.72 ALDH1A1 (0.47) MEN1KMT2ATP53LMNAPOLB
SCHEMBL22166764 0.70 KDM4E (0.41) MEN1KMT2ATP53LMNAPOLB
SCHEMBL29876882 0.70 MEN1 (0.40) MEN1KMT2ALMNAPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2020-08-13 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 (3 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-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 MEN1 2363/4885KMT2A 4253/4885TP53 4863/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 MEN1 3518/4885KMT2A 1139/4885TP53 3849/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 MEN1 2363/4885KMT2A 4253/4885TP53 4863/4885

“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.