SCHEMBL2396360

SCHEMBL2396360

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
ACHE P22303 1/20 0.43
ACACB O00763 6/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
ACACA Q13085 3/20 0.38
DRD2 P14416 1/20 0.38
NPY5R Q15761 1/20 0.38
AR P10275 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2394933 0.83 DRD2 (0.41) FAAHACHEMAPTALDH1A1JAK1
SCHEMBL2378339 0.81 DRD2 (0.42) FAAHACHEMAPTALDH1A1DRD2
SCHEMBL2378345 0.81 DRD2 (0.42) FAAHACHEMAPTALDH1A1DRD2
SCHEMBL2369122 0.81 FAAH (0.48) FAAHACHEMAPTALDH1A1PKM
SCHEMBL2380298 0.80 ALDH1A1 (0.41) FAAHACHEMAPTALDH1A1DRD2
SCHEMBL2380608 0.80 ALDH1A1 (0.41) FAAHACHEMAPTALDH1A1DRD2
SCHEMBL2388891 0.80 FAAH (0.42) FAAHACHEMAPTALDH1A1AR
SCHEMBL2473267 0.80 FAAH (0.53) FAAHACHEMAPTALDH1A1AR
SCHEMBL2379332 0.78 FAAH (0.40) FAAHACHEMAPTALDH1A1PKM
SCHEMBL2391387 0.78 GPR119 (0.39) FAAHACHEMAPTALDH1A1TDP1

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
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-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 FAAH 4705/4885ACHE 4289/4885ACACB 1010/4885

“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.