SCHEMBL22018462

SCHEMBL22018462

O=C1NCCCC12CNc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.54
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
HTR2A P28223 2/20 0.41
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.37
PDE7A Q13946 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL26124000 0.90 BACE1 (0.61) BACE1GRIN1GRIN2AHTR2AOPRM1
SCHEMBL5004601 0.77 BACE1 (0.82) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL22018461 0.77 BACE1 (0.54) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL31596433 0.77 BACE1 (0.82) BACE1HTR2AOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6639413 0.76 BACE1 (0.79) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL30548894 0.75 BACE1 (0.46) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL6636367 0.73 BACE1 (0.79) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL9726922 0.72 GRIN1 (0.38) GRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6638886 0.72 BACE1 (0.77) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL29609089 0.72 BACE1 (0.64) BACE1HTR2AOPRM1OPRK1OPRL1

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-10660968-B2 Spirocyclic degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2020-05-26 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-10660968-B2 Spirocyclic degronimers for target protein degradation STUB1, UBE3C, UBE3A BACE1 1584/4885GRIN1 3819/4885GRIN2A 3881/4885

“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.