SCHEMBL22198548

SCHEMBL22198548

CC(C)CCC(=O)N1CN(C(=O)CCC(C)C)CN(C(=O)CCC(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
CYP1A2 P05177 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20385924 0.90 CA1 (0.39) CA1CNR1CNR2SMN1; SMN2TRPA1
SCHEMBL20382859 0.88 CA1 (0.38) CA1CNR1CNR2SMN1; SMN2TRPA1
SCHEMBL12197900 0.82 ATM (0.58) CA1CNR1CNR2SMN1; SMN2ATM
SCHEMBL12197927 0.80 ATM (0.56) CA1CNR1CNR2SMN1; SMN2ATM
SCHEMBL19111011 0.80 CA1 (0.41) CA1CNR1CNR2SMN1; SMN2CHRNB2
SCHEMBL12197897 0.79 PIK3CD (0.55) CA1CNR1CNR2SMN1; SMN2CYP1A2
SCHEMBL19456994 0.79 HTR1A (0.46) CA1CNR1CNR2SMN1; SMN2CYP1A2
SCHEMBL24491474 0.77 CHRNB2 (0.42) CA1CNR1CNR2SMN1; SMN2CHRNB2
SCHEMBL5262942 0.77 GAA (0.41) CA1CNR1CNR2CHRNB2CHRNA3
SCHEMBL12197880 0.77 HRH3 (0.50) CA1CNR1CNR2ATMKDM4E

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-20200215199-A1 COMPOUNDS FOR TREATING CANCER BICYCLETX LIMITED (GB) 2020-07-09 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-20200215199-A1 COMPOUNDS FOR TREATING CANCER TP53, VHL, MYC CA1 987/4885CNR1 2624/4885CNR2 2812/4885

“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.