SCHEMBL8044217

SCHEMBL8044217

CC(C)C(=O)N1CCc2ccc(OC3CCNCC3)cc2CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.59
F10 P00742 6/20 0.53
PRSS1 P07477 6/20 0.53
PRSS2 P07478 6/20 0.53
PRSS3 P35030 6/20 0.53
PLG P00747 5/20 0.53
F2 P00734 1/20 0.52
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
CYP2D6 P10635 2/20 0.45
HTR2C P28335 2/20 0.43
ACACB O00763 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 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
SCHEMBL15088448 0.86 HRH3 (0.52) HRH3F10PRSS1PRSS2PRSS3
SCHEMBL373315 0.83 HRH3 (0.61) HRH3F10PRSS1PRSS2PRSS3
SCHEMBL6671296 0.82 HRH3 (0.57) HRH3F10PRSS1PRSS2PRSS3
SCHEMBL12209560 0.82 HRH3 (0.81) HRH3F10PRSS1PRSS2PRSS3
SCHEMBL373982 0.81 HRH3 (0.59) HRH3F10PRSS1PRSS2PRSS3
SCHEMBL15088504 0.81 HRH3 (0.71) HRH3F10PRSS1PRSS2PRSS3
SCHEMBL12209611 0.79 MTNR1B (0.60) MTNR1AMTNR1B
SCHEMBL12209615 0.77 HRH3 (0.65) HRH3F10PRSS1PRSS2PRSS3
SCHEMBL8055535 0.77 HRH3 (0.68) HRH3HTR2C
SCHEMBL5375403 0.75 HRH3 (0.70) HRH3CYP2D6HTR2C

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 7 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
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
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 HRH3 110/4885F10 2743/4885PRSS1 761/4885

“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.