SCHEMBL14847952

SCHEMBL14847952

Cn1c(CN(CC2CC2)C(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 3/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GRM2 Q14416 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL14833539 0.84 HDAC6 (0.52) MAPTALDH1A1HDAC6USP2SMN1; SMN2
SCHEMBL7522351 0.81 ALDH1A1 (0.58) MAPTALDH1A1HDAC6USP2SMN1; SMN2
SCHEMBL15166434 0.80 NLRP3 (0.40) ALDH1A1HDAC6LMNAKMT2ATSHR
SCHEMBL15166438 0.77 PKM (0.46) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL15166435 0.77 HDAC6 (0.40) ALDH1A1HDAC6LMNAKMT2ATSHR
SCHEMBL15166439 0.76 HDAC6 (0.49) ALDH1A1HDAC6LMNAKMT2ATSHR
SCHEMBL9223888 0.75 HDAC1 (0.51) HDAC6KMT2A
SCHEMBL14847734 0.75 PAX8 (0.47) MAPTALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL8327704 0.75 ALDH1A1 (0.42) MAPTALDH1A1HDAC6KMT2ATSHR
SCHEMBL4933280 0.75 HDAC6 (0.45) MAPTALDH1A1HDAC6LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760845-B1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2016-11-16 EP disclosed
EP-2760845-B1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2016-11-16 EP disclosed
US-9376425-B2 Heterocyclic compounds as MDM2 inhibitors for the treatment of cancer AMGEN, INC. (US) 2016-06-28 US disclosed
US-9376425-B2 Heterocyclic compounds as MDM2 inhibitors for the treatment of cancer AMGEN, INC. (US) 2016-06-28 US disclosed
US-9376425-B2 Heterocyclic compounds as MDM2 inhibitors for the treatment of cancer AMGEN, INC. (US) 2016-06-28 US disclosed
US-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. 2014-08-21 US disclosed
US-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. 2014-08-21 US disclosed
US-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. 2014-08-21 US disclosed
WO-2013049250-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2013-04-04 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-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A MAPT 1967/4885ALDH1A1 553/4885HDAC6 130/4885

“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.