SCHEMBL8037090

SCHEMBL8037090

CC(C)C(CO)Nc1nc(N2CCN(c3ccc(Cl)c(C#N)c3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.31
▸ P2RX2 Q9UBL9 2/20 0.31
▸ HTR3A P46098 1/20 0.30
▸ HRH4 Q9H3N8 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
SCHEMBL1187431 1.00 P2RX3 (0.31) P2RX3P2RX2HTR3AHRH4
SCHEMBL8032394 0.89 HTR3A (0.32) HTR3AHRH4
SCHEMBL1188334 0.89 HTR3A (0.32) HTR3AHRH4
SCHEMBL1186844 0.88 TRPV3 (0.34) HTR3AHRH4
SCHEMBL8038926 0.88 TRPV3 (0.34) HTR3AHRH4
SCHEMBL3046737 0.86 HTR3A (0.36) HTR3AHRH4
SCHEMBL3046733 0.86 HTR3A (0.36) HTR3AHRH4
SCHEMBL1186775 0.84 PHGDH (0.37) P2RX3P2RX2
SCHEMBL9273336 0.84 PHGDH (0.37) P2RX3P2RX2
SCHEMBL12872285 0.84 HTR3A (0.34) HTR3AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 P2RX3 30/4885P2RX2 56/4885HTR3A 3014/4885

“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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