SCHEMBL2394933

SCHEMBL2394933

CC(C)(C)OC(=O)N[C@H]1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
BTK Q06187 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNG1 Q06432 1/20 0.37

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
SCHEMBL2378339 0.94 DRD2 (0.42) DRD2ALDH1A1MAPTKDM1AMAOB
SCHEMBL2378345 0.94 DRD2 (0.42) DRD2ALDH1A1MAPTKDM1AMAOB
SCHEMBL2380298 0.93 ALDH1A1 (0.41) DRD2ALDH1A1MAPTKDM1AMAOB
SCHEMBL2380608 0.93 ALDH1A1 (0.41) DRD2ALDH1A1MAPTKDM1AMAOB
SCHEMBL2391139 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2IDO1FAAH
SCHEMBL2396360 0.83 FAAH (0.43) DRD2ALDH1A1MAPTJAK1JAK2
SCHEMBL2390297 0.83 KDM1A (0.41) DRD2KDM1AMAOBBTKCACNB4
SCHEMBL12290834 0.82 KDM1A (0.40) DRD2KDM1AMAOBBTKCACNB4
SCHEMBL16908828 0.82 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2FAAHACHE
SCHEMBL2391270 0.82 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2FAAHACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-2539345-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO]THIENO [2, 3 - D]PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 US disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 DRD2 4592/4885ALDH1A1 4123/4885MAPT 2378/4885

“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.