SCHEMBL23494772

SCHEMBL23494772

Cn1c(C2CCCCC2=O)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 3/20 0.62
▸ CRBN Q96SW2 3/20 0.62
▸ TAAR1 Q96RJ0 1/20 0.53
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12791633 0.79 TAAR1 (0.61) DDB1CRBNTAAR1LMNAKMT2A
SCHEMBL13196912 0.77 TLR7 (0.62) DDB1CRBNTAAR1LMNAKMT2A
SCHEMBL19585860 0.77 CRBN (1.00) DDB1CRBNTAAR1
SCHEMBL6479330 0.75 TAAR1 (0.61) DDB1CRBNTAAR1APOBEC3AAPOBEC3G
SCHEMBL5851500 0.75 TAAR1 (0.60) DDB1CRBNTAAR1APOBEC3AAPOBEC3G
SCHEMBL17254609 0.75 TAAR1 (0.60) DDB1CRBNTAAR1LMNAKMT2A
SCHEMBL29104132 0.74 DAO (0.42) DDB1CRBNLMNAKMT2ATSHR
SCHEMBL15717250 0.73 APOBEC3A (0.57) DDB1CRBNAPOBEC3AAPOBEC3GTSHR
SCHEMBL2201558 0.72 TAAR1 (0.55) DDB1CRBNTAAR1LMNAKMT2A
SCHEMBL31512132 0.71 TAAR1 (0.92) DDB1CRBNTAAR1LMNAKMT2A

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-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 — — 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-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 DDB1 167/4885CRBN 2244/4885TAAR1 693/4885

“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.

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