SCHEMBL2406985

SCHEMBL2406985

CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 5/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHEK2 O96017 1/20 0.41
BTK Q06187 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL2406983 1.00 PDE4B (0.45) PDE4BLMNAMAPTMEN1ALDH1A1
SCHEMBL2407372 0.89 PDE4B (0.46) PDE4BLMNAMAPTALDH1A1CHEK2
SCHEMBL2405552 0.89 PDE4B (0.46) PDE4BLMNAMAPTALDH1A1CHEK2
SCHEMBL2405553 0.89 PDE4B (0.46) PDE4BLMNAMAPTALDH1A1CHEK2
SCHEMBL2406669 0.87 PDE4B (0.47) PDE4BLMNAMAPTMEN1ALDH1A1
SCHEMBL2406667 0.87 PDE4B (0.47) PDE4BLMNAMAPTMEN1ALDH1A1
SCHEMBL18615601 0.87 MAPT (0.48) PDE4BLMNAMAPTMEN1ALDH1A1
SCHEMBL2406011 0.87 PDE4B (0.46) PDE4BLMNAMAPTMEN1ALDH1A1
SCHEMBL2406012 0.87 PDE4B (0.46) PDE4BLMNAMAPTMEN1ALDH1A1
SCHEMBL18615671 0.87 MAPT (0.48) PDE4BLMNAMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 PDE4B 812/4885LMNA 3572/4885MAPT 2770/4885

“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.