SCHEMBL8043176

SCHEMBL8043176

CN1C[C@@H](Nc2nc(N3CCC(c4cccc(O)c4)CC3)nc3c2[S+]([O-])CC3)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.35
▸ DRD2 P14416 9/20 0.35
▸ DRD3 P35462 10/20 0.34
▸ DRD4 P21917 10/20 0.33
▸ HTR1A P08908 7/20 0.33
▸ DRD1 P21728 7/20 0.33
▸ DRD5 P21918 7/20 0.33
▸ IL1B P01584 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ SIGMAR1 Q99720 3/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ PRCP P42785 1/20 0.32
▸ EBP Q15125 1/20 0.32
▸ SRD5A1 P18405 1/20 0.31

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
SCHEMBL12921240 0.91 PIM1 (0.35) PDE4DDRD2DRD3DRD4DRD1
SCHEMBL12921484 0.91 TSHR (0.35) PDE4DDRD2DRD3DRD4IL1B
SCHEMBL12921237 0.90 SRD5A1 (0.41) PDE4DIL1BPIM1PIM2SRD5A1
SCHEMBL8056114 0.86 PDE4D (0.36) PDE4DIL1BPIM1PIM2SRD5A1
SCHEMBL10283466 0.86 PDE4D (0.34) PDE4DIL1BPIM1PIM2SRD5A1
SCHEMBL186820 0.85 SRD5A1 (0.43) PDE4DDRD2IL1BPIM1PIM2
SCHEMBL8051881 0.85 PDE4D (0.33) PDE4DIL1BSRD5A1
SCHEMBL12921334 0.85 PDE4D (0.33) PDE4DIL1BSRD5A1
SCHEMBL8064923 0.84 OPRL1 (0.42) PDE4DDRD2
SCHEMBL12921481 0.83 SCN9A (0.34) PDE4DIL1BPIM1PIM2SRD5A1

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
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
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
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 PDE4D 2859/4885DRD2 1834/4885DRD3 1481/4885

“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.

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