SCHEMBL23940212

SCHEMBL23940212

Cn1cc(C(=O)N2CCC(O)CC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.60
GFER P55789 2/20 0.54
HDAC6 Q9UBN7 2/20 0.53
HDAC1 Q13547 1/20 0.53
POLB P06746 2/20 0.52
HCRTR1 O43613 1/20 0.52
NR4A2 P43354 1/20 0.51
CNR1 P21554 1/20 0.51
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL27249483 0.92 GFER (0.57) TPSAB1GFERHDAC6HDAC1POLB
SCHEMBL27249754 0.88 TPSAB1 (0.62) TPSAB1GFERHDAC6HDAC1POLB
SCHEMBL27249504 0.86 POLB (0.54) TPSAB1GFERHDAC6HDAC1POLB
SCHEMBL27249698 0.85 ALDH1A1 (0.66) TPSAB1GFERHDAC6HDAC1POLB
SCHEMBL16003045 0.85 TPSAB1 (0.57) TPSAB1GFERHDAC6HDAC1POLB
SCHEMBL27249485 0.84 GFER (0.64) TPSAB1GFERHDAC6POLBHCRTR1
SCHEMBL27249737 0.84 GFER (0.64) TPSAB1GFERHDAC6POLBHCRTR1
SCHEMBL3457429 0.84 ALDH1A1 (0.68) TPSAB1GFERHDAC6HDAC1POLB
SCHEMBL3456294 0.84 CNR1 (0.60) TPSAB1GFERHDAC6HDAC1POLB
SCHEMBL23940213 0.84 ALDH1A1 (0.48) TPSAB1CNR1ALDH1A1SMN1; SMN2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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 (2 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 TPSAB1 384/4885GFER 4828/4885HDAC6 637/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS TPSAB1 4291/4885GFER 3584/4885HDAC6 4550/4885

“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.