SCHEMBL22006041

SCHEMBL22006041

O=C1NCCCC1N1C(=O)c2ccccc2C1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ STAT3 P40763 1/20 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
SCHEMBL19629754 0.96 TSHR (0.43) TSHRALDH1A1RAB9AHTR2AHTR2C
SCHEMBL19619253 0.82 CRBN (0.51) TSHRALDH1A1CHRM2OPRM1DDB1
SCHEMBL22845279 0.80 KDM4E (0.33) ALDH1A1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL22939207 0.80 DDB1 (0.39) ALDH1A1HTR2CHTR2BPKMSMN1; SMN2
SCHEMBL24266897 0.80 CRBN (0.49) TSHRALDH1A1CHRM2OPRM1DDB1
SCHEMBL20153897 0.79 CRBN (0.47) TSHRALDH1A1RAB9AHTR2AHTR2C
SCHEMBL19629752 0.79 CRBN (0.37) TSHRALDH1A1RAB9AHSD17B10NPC1
SCHEMBL20153862 0.78 CRBN (0.61) TSHRALDH1A1CHRM2OPRM1DDB1
SCHEMBL22873320 0.76 CRBN (0.45) TSHRALDH1A1RAB9AMEN1KMT2A
SCHEMBL845434 0.76 CRBN (0.57) TSHRALDH1A1HTR2BHSD17B10PKM

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-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 — — 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-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 TSHR 3772/4885ALDH1A1 3671/4885RAB9A 3202/4885

“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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