SCHEMBL974823

SCHEMBL974823

CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CCN(C(=O)C(F)(F)F)CC3)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.56
HRH3 Q9Y5N1 4/20 0.53
ESR2 Q92731 2/20 0.52
ESR1 P03372 1/20 0.52
NR1H2 P55055 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM1A O60341 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ALK Q9UM73 2/20 0.45
CHEK2 O96017 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL31013899 0.88 GPR119 (0.56) GPR119HRH3ESR2NR1H2NPC1
SCHEMBL373986 0.87 ESR2 (0.49) GPR119HRH3ESR2ESR1NR1H2
SCHEMBL974703 0.86 GPR119 (0.55) GPR119HRH3ESR2NR1H2NPC1
SCHEMBL974325 0.84 HRH3 (0.60) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL6671296 0.84 HRH3 (0.57) GPR119HRH3ESR2NR1H2NPC1
SCHEMBL3090692 0.83 HRH3 (0.68) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL4915776 0.82 GPR119 (0.53) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL6672245 0.82 F10 (0.57) GPR119HRH3ESR2NR1H2NPC1
SCHEMBL31013862 0.82 ESR2 (0.62) GPR119HRH3ESR2ESR1NR1H2
SCHEMBL31014050 0.82 NR1H2 (0.64) GPR119HRH3ESR2NR1H2PRMT5

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
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 GPR119 1759/4885HRH3 110/4885ESR2 2659/4885

“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.