SCHEMBL2363240

SCHEMBL2363240

O=C(O)NC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.59
HSD11B1 P28845 2/20 0.53
AKR1C1 Q04828 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
THRB P10828 1/20 0.51
HDAC1 Q13547 1/20 0.51
LMNA P02545 4/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
P2RX7 Q99572 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ELOVL1 Q9BW60 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL17993499 0.82 HDAC4 (0.53) HDAC4HSD11B1AKR1C1SMN1; SMN2HTT
SCHEMBL8572144 0.80 HDAC4 (0.59) HDAC4HSD11B1AKR1C1SMN1; SMN2HTT
SCHEMBL1100195 0.80 HDAC4 (0.59) HDAC4HSD11B1AKR1C1SMN1; SMN2HTT
SCHEMBL172001 0.79 HDAC4 (0.50) HDAC4HSD11B1AKR1C1SMN1; SMN2HTT
SCHEMBL6628661 0.78 HDAC1 (0.71) HDAC4SMN1; SMN2HTTTHRBHDAC1
SCHEMBL14019859 0.77 EPHX1 (0.56) HDAC4HSD11B1SMN1; SMN2HTTTHRB
SCHEMBL3116138 0.76 AKR1C1 (0.61) HDAC4HSD11B1AKR1C1SMN1; SMN2HTT
SCHEMBL6391 0.76 AKR1C1 (0.83) HDAC4HSD11B1AKR1C1ALDH1A1HDAC9
SCHEMBL31016196 0.76 AKR1C1 (0.83) HDAC4HSD11B1AKR1C1ALDH1A1HDAC9
SCHEMBL2722768 0.76 SMN1; SMN2 (0.59) HDAC4HSD11B1AKR1C1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201580-A1 PYRROLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-08-18 US disclosed
WO-2011095535-A2 PYRROLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-08-11 WO 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-20110201580-A1 PYRROLIDINE DERIVATIVES IL5, TSLP, NR3C1 HDAC4 1370/4885HSD11B1 38/4885AKR1C1 893/4885

“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.