SCHEMBL22797565

SCHEMBL22797565

COC(=O)c1cc2c(c(OCCF)c1I)CCC(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 4/20 0.35
▸ CNR2 P34972 4/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ DDB1 Q16531 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30

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
SCHEMBL22797557 0.78 CRBN (0.41) CRBNALOX15HTTHSD17B10SOS1
SCHEMBL22491512 0.77 CRBN (0.43) CRBNALOX15HTTHSD17B10ADRB2
SCHEMBL22491534 0.68 DRD2 (0.39) HTTADRB2ADRB1HTR1AOPRK1
SCHEMBL29734435 0.66 CRBN (0.48) CRBNCNR2ALOX15HTTHSD17B10
SCHEMBL29706811 0.66 CRBN (0.51) CRBNALOX15HTTHSD17B10
SCHEMBL22491481 0.66 CRBN (0.48) CRBNCNR2ALOX15HTTHSD17B10
SCHEMBL28167777 0.65 CRBN (0.47) CRBNALOX15HTTHSD17B10ADRB2
SCHEMBL29734620 0.64 CRBN (0.49) CRBNCNR2ALOX15HTTHSD17B10
SCHEMBL22491528 0.64 CRBN (0.49) CRBNCNR2ALOX15HTTHSD17B10
SCHEMBL19056160 0.64 CRBN (0.41) CRBNALDH1A1LMNACCNB2CDK1

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-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — 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-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY CRBN 206/4885CNR2 456/4885ALOX15 1266/4885

“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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