SCHEMBL1186159

SCHEMBL1186159

[O-][S+]1CCc2nc(N3CCN(c4ccccc4Cl)CC3)nc(NC3(CO)CC3)c21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ DRD2 P14416 4/20 0.31
▸ DRD4 P21917 4/20 0.31
▸ DRD3 P35462 3/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ GBA1 P04062 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL8063975 0.87 MAPT (0.38) ALDH1A1MAPTKDM4EALOX15HTR2A
SCHEMBL12872291 0.86 GRM5 (0.37) ALDH1A1MAPTGRM5DRD4HTR2A
SCHEMBL590295 0.86 CETP (0.35) ALDH1A1MAPTGRM5KDM4ERAB9A
SCHEMBL8035453 0.85 MAPT (0.35) ALDH1A1MAPTHTR1AADRA1BKDM4E
SCHEMBL8035803 0.83 MMP2 (0.32) —
SCHEMBL516213 0.83 ITGB3 (0.33) —
SCHEMBL194717 0.83 DRD2 (0.34) ALDH1A1HTR1ADRD2DRD4DRD3
SCHEMBL588844 0.82 CETP (0.34) ALDH1A1MAPTHTR1ADRD2DRD4
SCHEMBL10268874 0.82 SCD (0.34) ALDH1A1KDM4E
SCHEMBL8054895 0.81 TACR2 (0.37) ALDH1A1MAPTHTR1AKDM4EDRD2

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-2214673-B1 PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
WO-2009053268-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — 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-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 ALDH1A1 585/4885MAPT 2314/4885HTR1A 1899/4885

“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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