SCHEMBL23940213

SCHEMBL23940213

CC(C)(C)n1cc(C(=O)N2CCC(O)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TPSAB1 Q15661 9/20 0.47
CNR1 P21554 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2C P28335 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GRM5 P41594 1/20 0.42
ATM Q13315 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
SCHEMBL23940224 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23940212 0.84 TPSAB1 (0.60) ALDH1A1SMN1; SMN2TPSAB1CNR1KMT2A
SCHEMBL22810567 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TPSAB1CNR1MEN1
SCHEMBL27249483 0.76 GFER (0.57) TPSAB1HTR2C
SCHEMBL15458754 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3924368 0.75 ALDH1A1 (0.53) ALDH1A1L3MBTL1
SCHEMBL21891709 0.72 CPB1 (0.68) ALDH1A1MEN1KMT2ATP53BP1L3MBTL3
SCHEMBL27249754 0.72 TPSAB1 (0.62) TPSAB1CNR1
SCHEMBL13209353 0.72 NR4A2 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL16003045 0.70 TPSAB1 (0.57) TPSAB1CNR1HTR2C

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-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 (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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 ALDH1A1 2637/4885SMN1; SMN2 2940/4885TPSAB1 384/4885

“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.