SCHEMBL10211601

SCHEMBL10211601

CN1CCC[C@@H](NC(=O)c2cccc(-c3cccnc3)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.54
SMO Q99835 1/20 0.54
GRM5 P41594 1/20 0.53
DYRK1A Q13627 4/20 0.50
WNT1 P04628 3/20 0.50
PIK3CD O00329 1/20 0.50
KMO O15229 1/20 0.50
CHEK1 O14757 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC4 P56524 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
ROCK2 O75116 1/20 0.47
KDM5A P29375 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
CHRNB2 P17787 1/20 0.46

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
SCHEMBL10212594 0.89 ALDH1A1 (0.58) GRM5ALDH1A1MAPTL3MBTL1HDAC4
SCHEMBL10210729 0.87 USP30 (0.70) USP30PIK3CDCHEK1DRD2DRD4
SCHEMBL10210831 0.84 USP30 (0.60) USP30PIK3CDCHEK1DRD2DRD4
SCHEMBL10212633 0.83 USP30 (0.56) USP30GRM5PIK3CDCHEK1DRD2
SCHEMBL10212606 0.83 USP30 (0.59) USP30GRM5CHEK1DRD2DRD4
SCHEMBL10224770 0.81 ALDH1A1 (0.61) GRM5ALDH1A1MAPTL3MBTL1HDAC4
SCHEMBL357738 0.81 ALDH1A1 (0.61) GRM5ALDH1A1MAPTL3MBTL1HDAC4
SCHEMBL10210844 0.80 SMYD2 (0.57) USP30PIK3CDCHEK1DRD2DRD4
SCHEMBL10210732 0.79 NPC1 (0.51) USP30GRM5CHEK1L3MBTL1HDAC4
SCHEMBL10211606 0.79 SMYD3 (0.59) USP30GRM5CHEK1L3MBTL1HDAC4

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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT USP30 4807/4885SMO 3513/4885GRM5 2730/4885

“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.