SCHEMBL1950288

SCHEMBL1950288

CN(C)C(=O)CN1CCc2c[c]ccc2CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
ALDH1A1 P00352 1/20 0.39
JAK2 O60674 6/20 0.36
JAK3 P52333 6/20 0.36
PTK2 Q05397 6/20 0.36
PARP1 P09874 1/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GFER P55789 1/20 0.36
DRD4 P21917 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
INSR P06213 3/20 0.35
ALK Q9UM73 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL521473 0.74 DRD2 (0.57) DRD2ALDH1A1JAK2JAK3PTK2
SCHEMBL3995514 0.72 KMT2A (0.41) DRD2ALDH1A1PARP1RAB9AMEN1
SCHEMBL951185 0.72 MEN1 (0.40) DRD2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL31438767 0.72 HDAC1 (0.54) DRD2JAK2JAK3PTK2MEN1
SCHEMBL1949908 0.72 DRD2 (0.38) DRD2ALDH1A1MEN1KMT2ALMNA
SCHEMBL22502314 0.71 ALDH1A1 (0.50) DRD2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL217306 0.70 DRD2 (0.48) DRD2DRD4
SCHEMBL20910192 0.70 MEN1 (0.49) DRD2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL521786 0.70 DRD2 (0.47) DRD2ALDH1A1DRD4
SCHEMBL28598636 0.70 ALDH1A1 (0.40) DRD2ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK DRD2 3153/4885ALDH1A1 1894/4885JAK2 236/4885

“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.