SCHEMBL975277

SCHEMBL975277

CCN(CC)CCOc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
HRH1 P35367 2/20 0.49
CYP2D6 P10635 2/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
LTA4H P09960 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
MCHR1 Q99705 1/20 0.45
CHEK1 O14757 1/20 0.45
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
CHRNA7 P36544 1/20 0.43
KCNH2 Q12809 2/20 0.42
ESR1 P03372 2/20 0.42
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42

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
SCHEMBL15567254 0.80 HRH1 (0.59) HRH1HRH3
SCHEMBL14795212 0.79 HRH1 (0.51) HRH1HRH3
SCHEMBL14795198 0.79 HRH1 (0.54) HRH1HRH3KCNH2SLC6A4
SCHEMBL9706125 0.78 EBP (0.72) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL14795309 0.76 HRH1 (0.54) HRH1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL74143 0.75 HRH1 (0.53) HRH1HRH3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL74092 0.74 HRH1 (0.51) HRH1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL14997908 0.73 HRH1 (0.59) HRH1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL300595 0.73 HRH1 (0.66) HRH1HRH3KMT2ASLC6A2SLC6A4
SCHEMBL374223 0.73 EBP (0.62) EBPSIGMAR1CYP2D6HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP 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
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP 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
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
EP-2215092-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP 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 EBP 4759/4885SIGMAR1 581/4885HRH1 16/4885

“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.